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
1987
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), .
(doi:10.1016/0301-0104(87)87005-2).
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.
This record has no associated files available for download.
More information
Published date: 1987
Identifiers
Local EPrints ID: 15948
URI: http://eprints.soton.ac.uk/id/eprint/15948
PURE UUID: b33cae98-6a3e-4be0-84bb-3b10083b66be
Catalogue record
Date deposited: 14 Jun 2005
Last modified: 15 Mar 2024 05:44
Export record
Altmetrics
Contributors
Author:
J.G. Frey
Author:
B.J. Howard
Download statistics
Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.
View more statistics