Wikipedia / Hartree
Wikipedia / Hartree
The hartree (symbol: Eh), 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−1) are much more widely used.
Other relationships
where:
ħ is the reduced Planck constant,
me is the electron mass,
e is the elementary charge,
a0 is the Bohr radius,
ε0 is the electric constant,
c is the speed of light in vacuum, and
α is the fine-structure constant.
. The effective hartree in semiconductors becomes small enough to be measured in millielectronvolts (meV).
See also
References