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An accurate lower-bound calculation of the lowest triplet states of he and its isoelectronic series (1992)

Kleindienst, H. ; De Groot, U.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 44 (1992), S. 59-65

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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: Accurate lower bounds for the nonrelativistic lowest triplet states of 4He and ∞He and the He isoelectronic series up to Z = 10 were calculated by the method of variance minimization using wave functions with logarithmic terms. Furthermore, the method of Lehmann/Goerisch was extended to self-adjoint operators with an essential spectrum. Both methods were compared for 4He. © 1992 John Wiley & Sons, Inc.

Additional Material: 4 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560440105

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