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Self-consistent calculation of 1s2s1S state wave function of helium (1980)

Datta, Dilip Kumar ; Sengupta, Sankar

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 18 (1980), S. 995-1003

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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 simple self consistent variation perturbation method in the coupled Hartree-Fock scheme has been proposed to calculate 1s2s 1S state of the He atom. The present paper deals with an 1s2s 1S wave function in which all the relevant orthogonality conditions are imposed in successive stages. The resulting wave functions together with some interesting features are discussed.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560180407

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