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Brillouin-Wigner perturbation theory and the generalized eigenvalue equation (1974)

Laughlin, C. ; Woodward, M. R. ; Amos, A. T.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 8 (1974), S. 491-498

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: A Brillouin-Wigner perturbation expansion is derived for the generalized eigenvalue equation (F0 + F1)Ψ = μAΨ. The theory is applied through second order to calculate the ground-state energies of the helium atom and the hydrogen molecular ion. The results are compared with the corresponding Rayleigh-Schrödinger expansion. For the examples we consider, the Brillouin-Wigner results through second order are generally superior to the Rayleigh-Schrödinger ones.

Additional Material: 2 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560080402

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