Atomic units (
au or
a.u.) form a
systemA system of measurement is a set of units which can be used to specify anything which can be measured and were historically important, regulated and defined because of trade and internal commerce...
of
natural unitsIn physics, natural units are physical units of measurement based only on universal physical constants. For example the elementary charge e is a natural unit of electric charge, or the speed of light c is a natural unit of speed...
which is especially convenient for
atomic physicsAtomic physics is the field of physics that studies atoms as an isolated system of electrons and an atomic nucleus. It is primarily concerned with the arrangement of electrons around the nucleus and...
calculations. There are two different kinds of atomic units, which one might name
Hartree atomic units and
RydbergThe Rydberg constant, symbol R∞, named after the Swedish physicist Johannes Rydberg, is a physical constant relating to atomic spectra in the science of spectroscopy. Rydberg initially determined its value empirically from spectroscopy, but Niels Bohr later showed that its value could be calculated...
atomic units, which differ in the choice of the unit of mass and charge. This article deals with
Hartree atomic units. In atomic units, the numerical values of the following four fundamental physical constants are all unity by definition:NEWLINE
NEWLINE- electron mass ;
NEWLINE- elementary charge
The elementary charge, usually denoted as e, is the electric charge carried by a single proton, or equivalently, the absolute value of the electric charge carried by a single electron. This elementary charge is a fundamental physical constant. To avoid confusion over its sign, e is sometimes called...
; NEWLINE- reduced Planck's constant ;
NEWLINE- Coulomb's constant .
NEWLINE
Atomic units are often abbreviated "a.u." or "au", not to be confused with the same abbreviation used also for
astronomical unitAn astronomical unit is a unit of length equal to about or approximately the mean Earth–Sun distance....
s,
arbitrary unitIn science and technology, an arbitrary unit or procedure defined unit is a relative unit of measurement to show the ratio of amount of substance, intensity, or other quantities, to a predetermined reference measurement...
s, and
absorbance units in different contexts.
Use and notation
Atomic units, like SI units, have a unit of mass, a unit of length, and so on. However, the use and notation is somewhat different from SI.
Suppose some particle has a mass
m which is 3.4 times the mass of electron. Then, the value of
m can be written in three ways:NEWLINE
NEWLINE- "". This is the clearest notation (but least common), where the atomic unit is included explicitly as a symbol.
NEWLINE- "" ("a.u." means "expressed in atomic units"). This notation is ambiguous: Here, it means that the mass m is 3.4 times the atomic unit of mass. But if a length L were 3.4 times the atomic unit of length, the equation would look the same, "" The dimension needs to be inferred from context.
NEWLINE- "". This notation is similar to the previous one, and has the same dimensional ambiguity. It comes from formally setting the atomic units to 1, in this case , so .
NEWLINE
Fundamental atomic units
These four fundamental constants form the basis of the atomic units (see above). Therefore, their numerical values in the atomic units are unity by definition.
NEWLINE
NEWLINE Fundamental atomic unitsNEWLINENEWLINE| Dimension | NEWLINEName | NEWLINESymbol/Definition | NEWLINEValue in SI units | NEWLINE
NEWLINE massMass can be defined as a quantitive measure of the resistance an object has to change in its velocity.In physics, mass commonly refers to any of the following three properties of matter, which have been shown experimentally to be equivalent:... | NEWLINE electron rest mass The electron rest mass is the mass of a stationary electron. It is one of the fundamental constants of physics, and is also very important in chemistry because of its relation to the Avogadro constant... | NEWLINE | NEWLINE {{val|9.1093826|(16)|e=-31|u=kg}} | NEWLINE
NEWLINE chargeElectric charge is a physical property of matter that causes it to experience a force when near other electrically charged matter. Electric charge comes in two types, called positive and negative. Two positively charged substances, or objects, experience a mutual repulsive force, as do two... | NEWLINE elementary charge The elementary charge, usually denoted as e, is the electric charge carried by a single proton, or equivalently, the absolute value of the electric charge carried by a single electron. This elementary charge is a fundamental physical constant. To avoid confusion over its sign, e is sometimes called... | NEWLINE | NEWLINE {{val|1.60217653|(14)|e=-19|u=C}} | NEWLINE
NEWLINE angular momentumIn physics, angular momentum, moment of momentum, or rotational momentum is a conserved vector quantity that can be used to describe the overall state of a physical system... | NEWLINE reduced Planck's constant | NEWLINE | NEWLINE{{val|1.05457168|(18)|e=-34|u=J·s}} | NEWLINE
NEWLINE| electric constant The physical constant ε0, commonly called the vacuum permittivity, permittivity of free space or electric constant is an ideal, physical constant, which is the value of the absolute dielectric permittivity of classical vacuum... | NEWLINE Coulomb force constant | NEWLINE | NEWLINE{{val|8.9875517873681|e=9|u=kg·m3·s-2·C-2}} | NEWLINE
NEWLINENEWLINE
Related physical constants
Evidently,
dimensionless physical constantsIn physics, a dimensionless physical constant is a universal physical constant that is dimensionless - having no unit attached, so its numerical value is the same under all possible systems of units...
retain their values in any system of units. Of particular importance is the
fine-structure constantIn physics, the fine-structure constant is a fundamental physical constant, namely the coupling constant characterizing the strength of the electromagnetic interaction. Being a dimensionless quantity, it has constant numerical value in all systems of units...
. This immediately gives the value of the
speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time...
, expressed in atomic units.
NEWLINE
NEWLINE Some physical constants expressed in atomic unitsNEWLINENEWLINE| Name | NEWLINESymbol/Definition | NEWLINEValue in atomic units | NEWLINE
NEWLINE speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time... | NEWLINE | NEWLINE | NEWLINE
NEWLINE| classical electron radius The classical electron radius, also known as the Lorentz radius or the Thomson scattering length, is based on a classical relativistic model of the electron... | NEWLINE | NEWLINE | NEWLINE
NEWLINE| proton mass | NEWLINE | NEWLINE | NEWLINE
NEWLINE
NEWLINENEWLINE
Derived atomic units
Below are given a few derived units. Some of them have proper names and symbols assigned, as indicated in the table.
kB is
Boltzmann constant.
NEWLINE
NEWLINE Derived atomic unitsNEWLINENEWLINE| Dimension | NEWLINEName | NEWLINESymbol | NEWLINEExpression | NEWLINEValue in SI units | NEWLINEValue in more common units | NEWLINE
NEWLINE lengthIn geometric measurements, length most commonly refers to the longest dimension of an object.In certain contexts, the term "length" is reserved for a certain dimension of an object along which the length is measured. For example it is possible to cut a length of a wire which is shorter than wire... | NEWLINE Bohr radius The Bohr radius is a physical constant, approximately equal to the most probable distance between the proton and electron in a hydrogen atom in its ground state. It is named after Niels Bohr, due to its role in the Bohr model of an atom... | NEWLINE | NEWLINE | NEWLINE {{val|5.2917720859|(36)|e=-11|u=m}} | NEWLINE {{val|0.052918|u=nm}}={{val|0.52918|u=Å}} | NEWLINE
NEWLINE energyIn physics, energy is an indirectly observed quantity. It is often understood as the ability a physical system has to do work on other physical systems... | NEWLINE Hartree energy The hartree , also known as the Hartree energy, is the atomic unit of energy, named after the British physicist Douglas Hartree. It is defined as... | NEWLINE | NEWLINE | NEWLINE {{val|4.35974417|(75)|e=-18|u=J}} | NEWLINE {{val|27.211|u=eV}}={{val|627.509|u=kcal·mol−1}} | NEWLINE
NEWLINE timeTime is a part of the measuring system used to sequence events, to compare the durations of events and the intervals between them, and to quantify rates of change such as the motions of objects.... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.418884326505|(16)|e=-17|u=s}} | NEWLINE | NEWLINE
NEWLINE| velocity In physics, velocity is speed in a given direction. Speed describes only how fast an object is moving, whereas velocity gives both the speed and direction of the object's motion. To have a constant velocity, an object must have a constant speed and motion in a constant direction. Constant ... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.1876912633|(73)|e=6|u=m·s−1}} | NEWLINE | NEWLINE
NEWLINE forceIn physics, a force is any influence that causes an object to undergo a change in speed, a change in direction, or a change in shape. In other words, a force is that which can cause an object with mass to change its velocity , i.e., to accelerate, or which can cause a flexible object to deform... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|8.2387225|(14)|e=-8|u=N}} | NEWLINE{{val|82.387|u=nN}}={{val|51.421|u=eV·Å−1}} | NEWLINE
NEWLINE temperatureTemperature is a physical property of matter that quantitatively expresses the common notions of hot and cold. Objects of low temperature are cold, while various degrees of higher temperatures are referred to as warm or hot... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|3.1577464|(55)|e=5|u=K}} | NEWLINE | NEWLINE
NEWLINE pressurePressure is the force per unit area applied in a direction perpendicular to the surface of an object. Gauge pressure is the pressure relative to the local atmospheric or ambient pressure.- Definition :... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.9421912|(19)|e=13|u=Pa}} | NEWLINE | NEWLINE
NEWLINEelectric fieldIn physics, an electric field surrounds electrically charged particles and time-varying magnetic fields. The electric field depicts the force exerted on other electrically charged objects by the electrically charged particle the field is surrounding... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|5.1421|e=11|u=V·m−1}} | NEWLINE {{val|5.1421|u=GV·cm−1}}={{val|51.421|u=V·Å−1}} | NEWLINE
NEWLINENEWLINE
SI and Gaussian-CGS variants, and magnetism-related units
There are two common variants of atomic units, one where they are used in conjunction with SI units for
electromagnetismElectromagnetism is one of the four fundamental interactions in nature. The other three are the strong interaction, the weak interaction and gravitation...
, and one where they are used with
Gaussian-CGS unitsGaussian units comprise a metric system of physical units. This system is the most common of the several electromagnetic unit systems based on cgs units. It is also called the Gaussian unit system, Gaussian-cgs units, or often just cgs units...
. Although the units written above are the same either way (including the unit for electric field), the units related to magnetism are not. In the SI system, the atomic unit for magnetic field isNEWLINE
NEWLINE- 1 a.u. = = {{val|2.35|e=5}} T
The tesla is the SI derived unit of magnetic field B . One tesla is equal to one weber per square meter, and it was defined in 1960 in honour of the inventor, physicist, and electrical engineer Nikola Tesla...
= {{val|2.35|e=9}} GThe gauss, abbreviated as G, is the cgs unit of measurement of a magnetic field B , named after the German mathematician and physicist Carl Friedrich Gauss. One gauss is defined as one maxwell per square centimeter; it equals 1 tesla...
,
NEWLINE
and in the Gaussian-cgs unit system, the atomic unit for magnetic field isNEWLINE
NEWLINE- 1 a.u. = = {{val|1.72|e=3}} T
The tesla is the SI derived unit of magnetic field B . One tesla is equal to one weber per square meter, and it was defined in 1960 in honour of the inventor, physicist, and electrical engineer Nikola Tesla...
= {{val|1.72|e=7}} GThe gauss, abbreviated as G, is the cgs unit of measurement of a magnetic field B , named after the German mathematician and physicist Carl Friedrich Gauss. One gauss is defined as one maxwell per square centimeter; it equals 1 tesla...
.
NEWLINE
(These differ by a factor of α.)
Other magnetism-related quantities are also different in the two systems. An important example is the
Bohr magneton: In SI-based atomic units,NEWLINE
NEWLINE- a.u.
NEWLINE
and in Gaussian-based atomic units,NEWLINE
NEWLINE- a.u.
NEWLINE
Bohr model in atomic units
Atomic units are chosen to reflect the properties of electrons in atoms. This is particularly clear from the classical
Bohr modelIn atomic physics, the Bohr model, introduced by Niels Bohr in 1913, depicts the atom as a small, positively charged nucleus surrounded by electrons that travel in circular orbits around the nucleus—similar in structure to the solar system, but with electrostatic forces providing attraction,...
of the
hydrogen atomA hydrogen atom is an atom of the chemical element hydrogen. The electrically neutral atom contains a single positively-charged proton and a single negatively-charged electron bound to the nucleus by the Coulomb force...
in its
ground stateThe ground state of a quantum mechanical system is its lowest-energy state; the energy of the ground state is known as the zero-point energy of the system. An excited state is any state with energy greater than the ground state...
. The ground state electron orbiting the hydrogen nucleus has (in the classical Bohr model):NEWLINE
NEWLINE- Orbital velocity = 1
NEWLINE- Orbital radius = 1
NEWLINE- Angular momentum
In physics, angular momentum, moment of momentum, or rotational momentum is a conserved vector quantity that can be used to describe the overall state of a physical system...
= 1 NEWLINE- Orbital period = 2π
NEWLINE- Ionization energy
The ionization energy of a chemical species, i.e. an atom or molecule, is the energy required to remove an electron from the species to a practically infinite distance. Large atoms or molecules have a low ionization energy, while small molecules tend to have higher ionization energies.The property...
= {{frac|1|2}} NEWLINE- Electric field (due to nucleus) = 1
NEWLINE- Electrical attractive force (due to nucleus) = 1
NEWLINE
Non-relativistic quantum mechanics in atomic units
The
Schrödinger equationThe Schrödinger equation was formulated in 1926 by Austrian physicist Erwin Schrödinger. Used in physics , it is an equation that describes how the quantum state of a physical system changes in time....
for an electron in SI units isNEWLINE
NEWLINE- .
NEWLINE
The same equation in
au isNEWLINE
NEWLINE- .
NEWLINE
For the special case of the electron around a hydrogen atom, the
HamiltonianIn quantum mechanics, the Hamiltonian H, also Ȟ or Ĥ, is the operator corresponding to the total energy of the system. Its spectrum is the set of possible outcomes when one measures the total energy of a system...
in SI units is:NEWLINE
NEWLINE-
NEWLINE
Atomic units (
au or
a.u.) form a
systemA system of measurement is a set of units which can be used to specify anything which can be measured and were historically important, regulated and defined because of trade and internal commerce...
of
natural unitsIn physics, natural units are physical units of measurement based only on universal physical constants. For example the elementary charge e is a natural unit of electric charge, or the speed of light c is a natural unit of speed...
which is especially convenient for
atomic physicsAtomic physics is the field of physics that studies atoms as an isolated system of electrons and an atomic nucleus. It is primarily concerned with the arrangement of electrons around the nucleus and...
calculations. There are two different kinds of atomic units, which one might name
Hartree atomic units and
RydbergThe Rydberg constant, symbol R∞, named after the Swedish physicist Johannes Rydberg, is a physical constant relating to atomic spectra in the science of spectroscopy. Rydberg initially determined its value empirically from spectroscopy, but Niels Bohr later showed that its value could be calculated...
atomic units, which differ in the choice of the unit of mass and charge. This article deals with
Hartree atomic units. In atomic units, the numerical values of the following four fundamental physical constants are all unity by definition:NEWLINE
NEWLINE- electron mass ;
NEWLINE- elementary charge
The elementary charge, usually denoted as e, is the electric charge carried by a single proton, or equivalently, the absolute value of the electric charge carried by a single electron. This elementary charge is a fundamental physical constant. To avoid confusion over its sign, e is sometimes called...
; NEWLINE- reduced Planck's constant ;
NEWLINE- Coulomb's constant .
NEWLINE
Atomic units are often abbreviated "a.u." or "au", not to be confused with the same abbreviation used also for
astronomical unitAn astronomical unit is a unit of length equal to about or approximately the mean Earth–Sun distance....
s,
arbitrary unitIn science and technology, an arbitrary unit or procedure defined unit is a relative unit of measurement to show the ratio of amount of substance, intensity, or other quantities, to a predetermined reference measurement...
s, and
absorbance units in different contexts.
Use and notation
Atomic units, like SI units, have a unit of mass, a unit of length, and so on. However, the use and notation is somewhat different from SI.
Suppose some particle has a mass
m which is 3.4 times the mass of electron. Then, the value of
m can be written in three ways:NEWLINE
NEWLINE- "". This is the clearest notation (but least common), where the atomic unit is included explicitly as a symbol.
NEWLINE- "" ("a.u." means "expressed in atomic units"). This notation is ambiguous: Here, it means that the mass m is 3.4 times the atomic unit of mass. But if a length L were 3.4 times the atomic unit of length, the equation would look the same, "" The dimension needs to be inferred from context.
NEWLINE- "". This notation is similar to the previous one, and has the same dimensional ambiguity. It comes from formally setting the atomic units to 1, in this case , so .
NEWLINE
Fundamental atomic units
These four fundamental constants form the basis of the atomic units (see above). Therefore, their numerical values in the atomic units are unity by definition.
NEWLINE
NEWLINE Fundamental atomic unitsNEWLINENEWLINE| Dimension | NEWLINEName | NEWLINESymbol/Definition | NEWLINEValue in SI units | NEWLINE
NEWLINE massMass can be defined as a quantitive measure of the resistance an object has to change in its velocity.In physics, mass commonly refers to any of the following three properties of matter, which have been shown experimentally to be equivalent:... | NEWLINE electron rest mass The electron rest mass is the mass of a stationary electron. It is one of the fundamental constants of physics, and is also very important in chemistry because of its relation to the Avogadro constant... | NEWLINE | NEWLINE {{val|9.1093826|(16)|e=-31|u=kg}} | NEWLINE
NEWLINE chargeElectric charge is a physical property of matter that causes it to experience a force when near other electrically charged matter. Electric charge comes in two types, called positive and negative. Two positively charged substances, or objects, experience a mutual repulsive force, as do two... | NEWLINE elementary charge The elementary charge, usually denoted as e, is the electric charge carried by a single proton, or equivalently, the absolute value of the electric charge carried by a single electron. This elementary charge is a fundamental physical constant. To avoid confusion over its sign, e is sometimes called... | NEWLINE | NEWLINE {{val|1.60217653|(14)|e=-19|u=C}} | NEWLINE
NEWLINE angular momentumIn physics, angular momentum, moment of momentum, or rotational momentum is a conserved vector quantity that can be used to describe the overall state of a physical system... | NEWLINE reduced Planck's constant | NEWLINE | NEWLINE{{val|1.05457168|(18)|e=-34|u=J·s}} | NEWLINE
NEWLINE| electric constant The physical constant ε0, commonly called the vacuum permittivity, permittivity of free space or electric constant is an ideal, physical constant, which is the value of the absolute dielectric permittivity of classical vacuum... | NEWLINE Coulomb force constant | NEWLINE | NEWLINE{{val|8.9875517873681|e=9|u=kg·m3·s-2·C-2}} | NEWLINE
NEWLINENEWLINE
Related physical constants
Evidently,
dimensionless physical constantsIn physics, a dimensionless physical constant is a universal physical constant that is dimensionless - having no unit attached, so its numerical value is the same under all possible systems of units...
retain their values in any system of units. Of particular importance is the
fine-structure constantIn physics, the fine-structure constant is a fundamental physical constant, namely the coupling constant characterizing the strength of the electromagnetic interaction. Being a dimensionless quantity, it has constant numerical value in all systems of units...
. This immediately gives the value of the
speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time...
, expressed in atomic units.
NEWLINE
NEWLINE Some physical constants expressed in atomic unitsNEWLINENEWLINE| Name | NEWLINESymbol/Definition | NEWLINEValue in atomic units | NEWLINE
NEWLINE speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time... | NEWLINE | NEWLINE | NEWLINE
NEWLINE| classical electron radius The classical electron radius, also known as the Lorentz radius or the Thomson scattering length, is based on a classical relativistic model of the electron... | NEWLINE | NEWLINE | NEWLINE
NEWLINE| proton mass | NEWLINE | NEWLINE | NEWLINE
NEWLINE
NEWLINENEWLINE
Derived atomic units
Below are given a few derived units. Some of them have proper names and symbols assigned, as indicated in the table.
kB is
Boltzmann constant.
NEWLINE
NEWLINE Derived atomic unitsNEWLINENEWLINE| Dimension | NEWLINEName | NEWLINESymbol | NEWLINEExpression | NEWLINEValue in SI units | NEWLINEValue in more common units | NEWLINE
NEWLINE lengthIn geometric measurements, length most commonly refers to the longest dimension of an object.In certain contexts, the term "length" is reserved for a certain dimension of an object along which the length is measured. For example it is possible to cut a length of a wire which is shorter than wire... | NEWLINE Bohr radius The Bohr radius is a physical constant, approximately equal to the most probable distance between the proton and electron in a hydrogen atom in its ground state. It is named after Niels Bohr, due to its role in the Bohr model of an atom... | NEWLINE | NEWLINE | NEWLINE {{val|5.2917720859|(36)|e=-11|u=m}} | NEWLINE {{val|0.052918|u=nm}}={{val|0.52918|u=Å}} | NEWLINE
NEWLINE energyIn physics, energy is an indirectly observed quantity. It is often understood as the ability a physical system has to do work on other physical systems... | NEWLINE Hartree energy The hartree , also known as the Hartree energy, is the atomic unit of energy, named after the British physicist Douglas Hartree. It is defined as... | NEWLINE | NEWLINE | NEWLINE {{val|4.35974417|(75)|e=-18|u=J}} | NEWLINE {{val|27.211|u=eV}}={{val|627.509|u=kcal·mol−1}} | NEWLINE
NEWLINE timeTime is a part of the measuring system used to sequence events, to compare the durations of events and the intervals between them, and to quantify rates of change such as the motions of objects.... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.418884326505|(16)|e=-17|u=s}} | NEWLINE | NEWLINE
NEWLINE| velocity In physics, velocity is speed in a given direction. Speed describes only how fast an object is moving, whereas velocity gives both the speed and direction of the object's motion. To have a constant velocity, an object must have a constant speed and motion in a constant direction. Constant ... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.1876912633|(73)|e=6|u=m·s−1}} | NEWLINE | NEWLINE
NEWLINE forceIn physics, a force is any influence that causes an object to undergo a change in speed, a change in direction, or a change in shape. In other words, a force is that which can cause an object with mass to change its velocity , i.e., to accelerate, or which can cause a flexible object to deform... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|8.2387225|(14)|e=-8|u=N}} | NEWLINE{{val|82.387|u=nN}}={{val|51.421|u=eV·Å−1}} | NEWLINE
NEWLINE temperatureTemperature is a physical property of matter that quantitatively expresses the common notions of hot and cold. Objects of low temperature are cold, while various degrees of higher temperatures are referred to as warm or hot... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|3.1577464|(55)|e=5|u=K}} | NEWLINE | NEWLINE
NEWLINE pressurePressure is the force per unit area applied in a direction perpendicular to the surface of an object. Gauge pressure is the pressure relative to the local atmospheric or ambient pressure.- Definition :... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.9421912|(19)|e=13|u=Pa}} | NEWLINE | NEWLINE
NEWLINEelectric fieldIn physics, an electric field surrounds electrically charged particles and time-varying magnetic fields. The electric field depicts the force exerted on other electrically charged objects by the electrically charged particle the field is surrounding... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|5.1421|e=11|u=V·m−1}} | NEWLINE {{val|5.1421|u=GV·cm−1}}={{val|51.421|u=V·Å−1}} | NEWLINE
NEWLINENEWLINE
SI and Gaussian-CGS variants, and magnetism-related units
There are two common variants of atomic units, one where they are used in conjunction with SI units for
electromagnetismElectromagnetism is one of the four fundamental interactions in nature. The other three are the strong interaction, the weak interaction and gravitation...
, and one where they are used with
Gaussian-CGS unitsGaussian units comprise a metric system of physical units. This system is the most common of the several electromagnetic unit systems based on cgs units. It is also called the Gaussian unit system, Gaussian-cgs units, or often just cgs units...
. Although the units written above are the same either way (including the unit for electric field), the units related to magnetism are not. In the SI system, the atomic unit for magnetic field isNEWLINE
NEWLINE- 1 a.u. = = {{val|2.35|e=5}} T
The tesla is the SI derived unit of magnetic field B . One tesla is equal to one weber per square meter, and it was defined in 1960 in honour of the inventor, physicist, and electrical engineer Nikola Tesla...
= {{val|2.35|e=9}} GThe gauss, abbreviated as G, is the cgs unit of measurement of a magnetic field B , named after the German mathematician and physicist Carl Friedrich Gauss. One gauss is defined as one maxwell per square centimeter; it equals 1 tesla...
,
NEWLINE
and in the Gaussian-cgs unit system, the atomic unit for magnetic field isNEWLINE
NEWLINE- 1 a.u. = = {{val|1.72|e=3}} T
The tesla is the SI derived unit of magnetic field B . One tesla is equal to one weber per square meter, and it was defined in 1960 in honour of the inventor, physicist, and electrical engineer Nikola Tesla...
= {{val|1.72|e=7}} GThe gauss, abbreviated as G, is the cgs unit of measurement of a magnetic field B , named after the German mathematician and physicist Carl Friedrich Gauss. One gauss is defined as one maxwell per square centimeter; it equals 1 tesla...
.
NEWLINE
(These differ by a factor of α.)
Other magnetism-related quantities are also different in the two systems. An important example is the
Bohr magneton: In SI-based atomic units,NEWLINE
NEWLINE- a.u.
NEWLINE
and in Gaussian-based atomic units,NEWLINE
NEWLINE- a.u.
NEWLINE
Bohr model in atomic units
Atomic units are chosen to reflect the properties of electrons in atoms. This is particularly clear from the classical
Bohr modelIn atomic physics, the Bohr model, introduced by Niels Bohr in 1913, depicts the atom as a small, positively charged nucleus surrounded by electrons that travel in circular orbits around the nucleus—similar in structure to the solar system, but with electrostatic forces providing attraction,...
of the
hydrogen atomA hydrogen atom is an atom of the chemical element hydrogen. The electrically neutral atom contains a single positively-charged proton and a single negatively-charged electron bound to the nucleus by the Coulomb force...
in its
ground stateThe ground state of a quantum mechanical system is its lowest-energy state; the energy of the ground state is known as the zero-point energy of the system. An excited state is any state with energy greater than the ground state...
. The ground state electron orbiting the hydrogen nucleus has (in the classical Bohr model):NEWLINE
NEWLINE- Orbital velocity = 1
NEWLINE- Orbital radius = 1
NEWLINE- Angular momentum
In physics, angular momentum, moment of momentum, or rotational momentum is a conserved vector quantity that can be used to describe the overall state of a physical system...
= 1 NEWLINE- Orbital period = 2π
NEWLINE- Ionization energy
The ionization energy of a chemical species, i.e. an atom or molecule, is the energy required to remove an electron from the species to a practically infinite distance. Large atoms or molecules have a low ionization energy, while small molecules tend to have higher ionization energies.The property...
= {{frac|1|2}} NEWLINE- Electric field (due to nucleus) = 1
NEWLINE- Electrical attractive force (due to nucleus) = 1
NEWLINE
Non-relativistic quantum mechanics in atomic units
The
Schrödinger equationThe Schrödinger equation was formulated in 1926 by Austrian physicist Erwin Schrödinger. Used in physics , it is an equation that describes how the quantum state of a physical system changes in time....
for an electron in SI units isNEWLINE
NEWLINE- .
NEWLINE
The same equation in
au isNEWLINE
NEWLINE- .
NEWLINE
For the special case of the electron around a hydrogen atom, the
HamiltonianIn quantum mechanics, the Hamiltonian H, also Ȟ or Ĥ, is the operator corresponding to the total energy of the system. Its spectrum is the set of possible outcomes when one measures the total energy of a system...
in SI units is:NEWLINE
NEWLINE-
NEWLINE
Atomic units (
au or
a.u.) form a
systemA system of measurement is a set of units which can be used to specify anything which can be measured and were historically important, regulated and defined because of trade and internal commerce...
of
natural unitsIn physics, natural units are physical units of measurement based only on universal physical constants. For example the elementary charge e is a natural unit of electric charge, or the speed of light c is a natural unit of speed...
which is especially convenient for
atomic physicsAtomic physics is the field of physics that studies atoms as an isolated system of electrons and an atomic nucleus. It is primarily concerned with the arrangement of electrons around the nucleus and...
calculations. There are two different kinds of atomic units, which one might name
Hartree atomic units and
RydbergThe Rydberg constant, symbol R∞, named after the Swedish physicist Johannes Rydberg, is a physical constant relating to atomic spectra in the science of spectroscopy. Rydberg initially determined its value empirically from spectroscopy, but Niels Bohr later showed that its value could be calculated...
atomic units, which differ in the choice of the unit of mass and charge. This article deals with
Hartree atomic units. In atomic units, the numerical values of the following four fundamental physical constants are all unity by definition:NEWLINE
NEWLINE- electron mass ;
NEWLINE- elementary charge
The elementary charge, usually denoted as e, is the electric charge carried by a single proton, or equivalently, the absolute value of the electric charge carried by a single electron. This elementary charge is a fundamental physical constant. To avoid confusion over its sign, e is sometimes called...
; NEWLINE- reduced Planck's constant ;
NEWLINE- Coulomb's constant .
NEWLINE
Atomic units are often abbreviated "a.u." or "au", not to be confused with the same abbreviation used also for
astronomical unitAn astronomical unit is a unit of length equal to about or approximately the mean Earth–Sun distance....
s,
arbitrary unitIn science and technology, an arbitrary unit or procedure defined unit is a relative unit of measurement to show the ratio of amount of substance, intensity, or other quantities, to a predetermined reference measurement...
s, and
absorbance units in different contexts.
Use and notation
Atomic units, like SI units, have a unit of mass, a unit of length, and so on. However, the use and notation is somewhat different from SI.
Suppose some particle has a mass
m which is 3.4 times the mass of electron. Then, the value of
m can be written in three ways:NEWLINE
NEWLINE- "". This is the clearest notation (but least common), where the atomic unit is included explicitly as a symbol.
NEWLINE- "" ("a.u." means "expressed in atomic units"). This notation is ambiguous: Here, it means that the mass m is 3.4 times the atomic unit of mass. But if a length L were 3.4 times the atomic unit of length, the equation would look the same, "" The dimension needs to be inferred from context.
NEWLINE- "". This notation is similar to the previous one, and has the same dimensional ambiguity. It comes from formally setting the atomic units to 1, in this case , so .
NEWLINE
Fundamental atomic units
These four fundamental constants form the basis of the atomic units (see above). Therefore, their numerical values in the atomic units are unity by definition.
NEWLINE
NEWLINE Fundamental atomic unitsNEWLINENEWLINE| Dimension | NEWLINEName | NEWLINESymbol/Definition | NEWLINEValue in SI units | NEWLINE
NEWLINE massMass can be defined as a quantitive measure of the resistance an object has to change in its velocity.In physics, mass commonly refers to any of the following three properties of matter, which have been shown experimentally to be equivalent:... | NEWLINE electron rest mass The electron rest mass is the mass of a stationary electron. It is one of the fundamental constants of physics, and is also very important in chemistry because of its relation to the Avogadro constant... | NEWLINE | NEWLINE {{val|9.1093826|(16)|e=-31|u=kg}} | NEWLINE
NEWLINE chargeElectric charge is a physical property of matter that causes it to experience a force when near other electrically charged matter. Electric charge comes in two types, called positive and negative. Two positively charged substances, or objects, experience a mutual repulsive force, as do two... | NEWLINE elementary charge The elementary charge, usually denoted as e, is the electric charge carried by a single proton, or equivalently, the absolute value of the electric charge carried by a single electron. This elementary charge is a fundamental physical constant. To avoid confusion over its sign, e is sometimes called... | NEWLINE | NEWLINE {{val|1.60217653|(14)|e=-19|u=C}} | NEWLINE
NEWLINE angular momentumIn physics, angular momentum, moment of momentum, or rotational momentum is a conserved vector quantity that can be used to describe the overall state of a physical system... | NEWLINE reduced Planck's constant | NEWLINE | NEWLINE{{val|1.05457168|(18)|e=-34|u=J·s}} | NEWLINE
NEWLINE| electric constant The physical constant ε0, commonly called the vacuum permittivity, permittivity of free space or electric constant is an ideal, physical constant, which is the value of the absolute dielectric permittivity of classical vacuum... | NEWLINE Coulomb force constant | NEWLINE | NEWLINE{{val|8.9875517873681|e=9|u=kg·m3·s-2·C-2}} | NEWLINE
NEWLINENEWLINE
Related physical constants
Evidently,
dimensionless physical constantsIn physics, a dimensionless physical constant is a universal physical constant that is dimensionless - having no unit attached, so its numerical value is the same under all possible systems of units...
retain their values in any system of units. Of particular importance is the
fine-structure constantIn physics, the fine-structure constant is a fundamental physical constant, namely the coupling constant characterizing the strength of the electromagnetic interaction. Being a dimensionless quantity, it has constant numerical value in all systems of units...
. This immediately gives the value of the
speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time...
, expressed in atomic units.
NEWLINE
NEWLINE Some physical constants expressed in atomic unitsNEWLINENEWLINE| Name | NEWLINESymbol/Definition | NEWLINEValue in atomic units | NEWLINE
NEWLINE speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time... | NEWLINE | NEWLINE | NEWLINE
NEWLINE| classical electron radius The classical electron radius, also known as the Lorentz radius or the Thomson scattering length, is based on a classical relativistic model of the electron... | NEWLINE | NEWLINE | NEWLINE
NEWLINE| proton mass | NEWLINE | NEWLINE | NEWLINE
NEWLINE
NEWLINENEWLINE
Derived atomic units
Below are given a few derived units. Some of them have proper names and symbols assigned, as indicated in the table.
kB is
Boltzmann constant.
NEWLINE
NEWLINE Derived atomic unitsNEWLINENEWLINE| Dimension | NEWLINEName | NEWLINESymbol | NEWLINEExpression | NEWLINEValue in SI units | NEWLINEValue in more common units | NEWLINE
NEWLINE lengthIn geometric measurements, length most commonly refers to the longest dimension of an object.In certain contexts, the term "length" is reserved for a certain dimension of an object along which the length is measured. For example it is possible to cut a length of a wire which is shorter than wire... | NEWLINE Bohr radius The Bohr radius is a physical constant, approximately equal to the most probable distance between the proton and electron in a hydrogen atom in its ground state. It is named after Niels Bohr, due to its role in the Bohr model of an atom... | NEWLINE | NEWLINE | NEWLINE {{val|5.2917720859|(36)|e=-11|u=m}} | NEWLINE {{val|0.052918|u=nm}}={{val|0.52918|u=Å}} | NEWLINE
NEWLINE energyIn physics, energy is an indirectly observed quantity. It is often understood as the ability a physical system has to do work on other physical systems... | NEWLINE Hartree energy The hartree , also known as the Hartree energy, is the atomic unit of energy, named after the British physicist Douglas Hartree. It is defined as... | NEWLINE | NEWLINE | NEWLINE {{val|4.35974417|(75)|e=-18|u=J}} | NEWLINE {{val|27.211|u=eV}}={{val|627.509|u=kcal·mol−1}} | NEWLINE
NEWLINE timeTime is a part of the measuring system used to sequence events, to compare the durations of events and the intervals between them, and to quantify rates of change such as the motions of objects.... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.418884326505|(16)|e=-17|u=s}} | NEWLINE | NEWLINE
NEWLINE| velocity In physics, velocity is speed in a given direction. Speed describes only how fast an object is moving, whereas velocity gives both the speed and direction of the object's motion. To have a constant velocity, an object must have a constant speed and motion in a constant direction. Constant ... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.1876912633|(73)|e=6|u=m·s−1}} | NEWLINE | NEWLINE
NEWLINE forceIn physics, a force is any influence that causes an object to undergo a change in speed, a change in direction, or a change in shape. In other words, a force is that which can cause an object with mass to change its velocity , i.e., to accelerate, or which can cause a flexible object to deform... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|8.2387225|(14)|e=-8|u=N}} | NEWLINE{{val|82.387|u=nN}}={{val|51.421|u=eV·Å−1}} | NEWLINE
NEWLINE temperatureTemperature is a physical property of matter that quantitatively expresses the common notions of hot and cold. Objects of low temperature are cold, while various degrees of higher temperatures are referred to as warm or hot... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|3.1577464|(55)|e=5|u=K}} | NEWLINE | NEWLINE
NEWLINE pressurePressure is the force per unit area applied in a direction perpendicular to the surface of an object. Gauge pressure is the pressure relative to the local atmospheric or ambient pressure.- Definition :... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|2.9421912|(19)|e=13|u=Pa}} | NEWLINE | NEWLINE
NEWLINEelectric fieldIn physics, an electric field surrounds electrically charged particles and time-varying magnetic fields. The electric field depicts the force exerted on other electrically charged objects by the electrically charged particle the field is surrounding... | NEWLINE | NEWLINE | NEWLINE | NEWLINE {{val|5.1421|e=11|u=V·m−1}} | NEWLINE {{val|5.1421|u=GV·cm−1}}={{val|51.421|u=V·Å−1}} | NEWLINE
NEWLINENEWLINE
SI and Gaussian-CGS variants, and magnetism-related units
There are two common variants of atomic units, one where they are used in conjunction with SI units for
electromagnetismElectromagnetism is one of the four fundamental interactions in nature. The other three are the strong interaction, the weak interaction and gravitation...
, and one where they are used with
Gaussian-CGS unitsGaussian units comprise a metric system of physical units. This system is the most common of the several electromagnetic unit systems based on cgs units. It is also called the Gaussian unit system, Gaussian-cgs units, or often just cgs units...
. Although the units written above are the same either way (including the unit for electric field), the units related to magnetism are not. In the SI system, the atomic unit for magnetic field isNEWLINE
NEWLINE- 1 a.u. = = {{val|2.35|e=5}} T
The tesla is the SI derived unit of magnetic field B . One tesla is equal to one weber per square meter, and it was defined in 1960 in honour of the inventor, physicist, and electrical engineer Nikola Tesla...
= {{val|2.35|e=9}} GThe gauss, abbreviated as G, is the cgs unit of measurement of a magnetic field B , named after the German mathematician and physicist Carl Friedrich Gauss. One gauss is defined as one maxwell per square centimeter; it equals 1 tesla...
,
NEWLINE
and in the Gaussian-cgs unit system, the atomic unit for magnetic field isNEWLINE
NEWLINE- 1 a.u. = = {{val|1.72|e=3}} T
The tesla is the SI derived unit of magnetic field B . One tesla is equal to one weber per square meter, and it was defined in 1960 in honour of the inventor, physicist, and electrical engineer Nikola Tesla...
= {{val|1.72|e=7}} GThe gauss, abbreviated as G, is the cgs unit of measurement of a magnetic field B , named after the German mathematician and physicist Carl Friedrich Gauss. One gauss is defined as one maxwell per square centimeter; it equals 1 tesla...
.
NEWLINE
(These differ by a factor of α.)
Other magnetism-related quantities are also different in the two systems. An important example is the
Bohr magneton: In SI-based atomic units,NEWLINE
NEWLINE- a.u.
NEWLINE
and in Gaussian-based atomic units,NEWLINE
NEWLINE- a.u.
NEWLINE
Bohr model in atomic units
Atomic units are chosen to reflect the properties of electrons in atoms. This is particularly clear from the classical
Bohr modelIn atomic physics, the Bohr model, introduced by Niels Bohr in 1913, depicts the atom as a small, positively charged nucleus surrounded by electrons that travel in circular orbits around the nucleus—similar in structure to the solar system, but with electrostatic forces providing attraction,...
of the
hydrogen atomA hydrogen atom is an atom of the chemical element hydrogen. The electrically neutral atom contains a single positively-charged proton and a single negatively-charged electron bound to the nucleus by the Coulomb force...
in its
ground stateThe ground state of a quantum mechanical system is its lowest-energy state; the energy of the ground state is known as the zero-point energy of the system. An excited state is any state with energy greater than the ground state...
. The ground state electron orbiting the hydrogen nucleus has (in the classical Bohr model):NEWLINE
NEWLINE- Orbital velocity = 1
NEWLINE- Orbital radius = 1
NEWLINE- Angular momentum
In physics, angular momentum, moment of momentum, or rotational momentum is a conserved vector quantity that can be used to describe the overall state of a physical system...
= 1 NEWLINE- Orbital period = 2π
NEWLINE- Ionization energy
The ionization energy of a chemical species, i.e. an atom or molecule, is the energy required to remove an electron from the species to a practically infinite distance. Large atoms or molecules have a low ionization energy, while small molecules tend to have higher ionization energies.The property...
= {{frac|1|2}} NEWLINE- Electric field (due to nucleus) = 1
NEWLINE- Electrical attractive force (due to nucleus) = 1
NEWLINE
Non-relativistic quantum mechanics in atomic units
The
Schrödinger equationThe Schrödinger equation was formulated in 1926 by Austrian physicist Erwin Schrödinger. Used in physics , it is an equation that describes how the quantum state of a physical system changes in time....
for an electron in SI units isNEWLINE
NEWLINE- .
NEWLINE
The same equation in
au isNEWLINE
NEWLINE- .
NEWLINE
For the special case of the electron around a hydrogen atom, the
HamiltonianIn quantum mechanics, the Hamiltonian H, also Ȟ or Ĥ, is the operator corresponding to the total energy of the system. Its spectrum is the set of possible outcomes when one measures the total energy of a system...
in SI units is:NEWLINE
NEWLINE- ,
NEWLINE
while
atomic units transform the preceding equation intoNEWLINE
NEWLINE- .
NEWLINE
Comparison with Planck units
Both
Planck unitsIn physics, Planck units are physical units of measurement defined exclusively in terms of five universal physical constants listed below, in such a manner that these five physical constants take on the numerical value of 1 when expressed in terms of these units. Planck units elegantly simplify...
and au are derived from certain fundamental properties of the physical world, and are free of anthropocentric considerations. It should be kept in mind that au were designed for atomic-scale calculations in the present-day universe, while Planck units are more suitable for
quantum gravityQuantum gravity is the field of theoretical physics which attempts to develop scientific models that unify quantum mechanics with general relativity...
and early-universe
cosmologyPhysical cosmology, as a branch of astronomy, is the study of the largest-scale structures and dynamics of the universe and is concerned with fundamental questions about its formation and evolution. For most of human history, it was a branch of metaphysics and religion...
. Both au and Planck units normalize the reduced Planck constant. Beyond this, Planck units normalize to 1 the two fundamental constants of
general relativityGeneral relativity or the general theory of relativity is the geometric theory of gravitation published by Albert Einstein in 1916. It is the current description of gravitation in modern physics...
and cosmology: the
gravitational constantThe gravitational constant, denoted G, is an empirical physical constant involved in the calculation of the gravitational attraction between objects with mass. It appears in Newton's law of universal gravitation and in Einstein's theory of general relativity. It is also known as the universal...
G and the
speed of lightThe speed of light in vacuum, usually denoted by c, is a physical constant important in many areas of physics. Its value is 299,792,458 metres per second, a figure that is exact since the length of the metre is defined from this constant and the international standard for time...
in a vacuum,
c. Atomic units, by contrast, normalize to 1 the mass and charge of the electron, and, as a result, the speed of light in atomic units is a large value,
. The orbital velocity of an electron around a small atom is of the order of 1 in atomic units, so the discrepancy between the velocity units in the two systems reflects the fact that electrons orbit small atoms much slower than the speed of light (around 2 orders of magnitude slower).
There are much larger discrepancies in some other units. For example, the unit of mass in atomic units is the mass of an electron, while the unit of mass in Planck units is the
Planck mass, a mass so large that if a single particle had that much mass it might collapse into a
black holeA black hole is a region of spacetime from which nothing, not even light, can escape. The theory of general relativity predicts that a sufficiently compact mass will deform spacetime to form a black hole. Around a black hole there is a mathematically defined surface called an event horizon that...
. Indeed, the Planck unit of mass is 22 orders of magnitude larger than the au unit of mass. Similarly, there are many orders of magnitude separating the Planck units of energy and length from the corresponding atomic units.
See also
NEWLINE
NEWLINE- Planck units
In physics, Planck units are physical units of measurement defined exclusively in terms of five universal physical constants listed below, in such a manner that these five physical constants take on the numerical value of 1 when expressed in terms of these units. Planck units elegantly simplify...
NEWLINE- Natural units
In physics, natural units are physical units of measurement based only on universal physical constants. For example the elementary charge e is a natural unit of electric charge, or the speed of light c is a natural unit of speed...
NEWLINE- Various extensions of the CGS system to electromagnetism.
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External links
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