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An accurate calculation of the ground-state energy of the helium atom and the hydrogen negative-ion using hyperspherical coordinates

An accurate calculation of the ground-state energy of the helium atom and the hydrogen negative-ion using hyperspherical coordinates
An accurate calculation of the ground-state energy of the helium atom and the hydrogen negative-ion using hyperspherical coordinates
The method of hyperspherical harmonics using an adiabatic separation between the hyper-radial coordinate and the hyperspherical angles is applied to the calculation of the ground state of the helium atom and the hydrogen negative ion. For each system the simple adiabatic separation provides much of the electron correlation energy. The non-adiabatic coupling is included by means of a perturbation treatment using both the Rayleigh—Schrödinger and Brillouin—Wigner approaches. These provide rapid convergence to the exact energy of ?2.90372 au.
33-36
Frey, J.G.
bcd6120a-ce66-4e01-99b5-9ced44cd0ec9
Howard, B.J.
612803f0-446e-4f00-8250-0576d4259996
Frey, J.G.
bcd6120a-ce66-4e01-99b5-9ced44cd0ec9
Howard, B.J.
612803f0-446e-4f00-8250-0576d4259996

Frey, J.G. and Howard, B.J. (1987) An accurate calculation of the ground-state energy of the helium atom and the hydrogen negative-ion using hyperspherical coordinates. Chemical Physics, 111 (1), 33-36. (doi:10.1016/0301-0104(87)87005-2).

Record type: Article

Abstract

The method of hyperspherical harmonics using an adiabatic separation between the hyper-radial coordinate and the hyperspherical angles is applied to the calculation of the ground state of the helium atom and the hydrogen negative ion. For each system the simple adiabatic separation provides much of the electron correlation energy. The non-adiabatic coupling is included by means of a perturbation treatment using both the Rayleigh—Schrödinger and Brillouin—Wigner approaches. These provide rapid convergence to the exact energy of ?2.90372 au.

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Published date: 1987

Identifiers

Local EPrints ID: 15948
URI: https://eprints.soton.ac.uk/id/eprint/15948
PURE UUID: b33cae98-6a3e-4be0-84bb-3b10083b66be

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Date deposited: 14 Jun 2005
Last modified: 17 Jul 2017 16:44

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