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 Eh = 4.3597447222060(48)×10−18 J[1] = 27.211386245981(30) eV.[2]

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.

  1. ^ "2022 CODATA Value: Hartree energy". The NIST Reference on Constants, Units, and Uncertainty. NIST. May 2024. Retrieved 2024-05-18.
  2. ^ "2022 CODATA Value: Hartree energy in eV". The NIST Reference on Constants, Units, and Uncertainty. NIST. May 2024. Retrieved 2024-05-18.

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