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Hartree

The hartree (symbol: E<sub>h</sub>), also known as the Hartree energy, is the unit of energy in the atomic units system, named after the British physicist Douglas Hartree. Its CODATA recommended value is = The name "hartree" was suggested for this unit of energy.

The hartree is approximately the negative electric potential energy of the electron in a hydrogen atom in its ground state and, by the virial theorem, approximately twice its ionization energy; the relationships are not exact because of the finite mass of the nucleus of the hydrogen atom and relativistic corrections.

The hartree is usually used as a unit of energy in atomic physics and computational chemistry: for experimental measurements at the atomic scale, the electronvolt (eV) or the reciprocal centimetre (cm<sup>−1</sup>) are much more widely used.

Other relationships

: = 2&thinsp;Ry = 2&thinsp;R<sub>∞</sub>hc
: =
: =
: =
: ≘
: ≘
: ≘
: ≘

where:

Effective hartree units are used in semiconductor physics where is replaced by and is the static dielectric constant. Also, the electron mass is replaced by the effective band mass . The effective hartree in semiconductors becomes small enough to be measured in millielectronvolts (meV).

See also

References