The hartree (symbol: Eh or Ha), also known as the Hartree energy, is the unit of energy in the Hartree atomic units system, named after the British physicist Douglas Hartree. Its CODATA recommended value is Eh = 4.3597447222071(85)×10−18 J = 27.211386245988(53) eV.
The hartree energy is approximately the electric potential energy of the 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.
- ħ is the reduced Planck constant,
- me is the electron rest 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.
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).
- "2018 CODATA Value: Hartree energy". The NIST Reference on Constants, Units, and Uncertainty. NIST. 20 May 2019. Retrieved 2019-05-20.
- "2018 CODATA Value: Hartree energy in eV". The NIST Reference on Constants, Units, and Uncertainty. NIST. 20 May 2019. Retrieved 2019-09-01.
- Tsuneya Ando, Alan B. Fowler, and Frank Stern Rev. Mod. Phys. 54, 437 (1982)