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Accurate nonrelativistic energies for 2Pe states of the Li isoelectronic series (1997)

Barrois, René ; Lüchow, Arne ; Kleindienst, Heinz

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 62 (1997), S. 77-88

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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: Highly accurate upper bounds for several 2Pe states of the Li isoelectronic series obtained by extensive Hylleraas-Cl calculations are given. The best value for the 22Pe state (1s2p2) of Li is -5.21373920 au. The evaluation of the occurring integrals is given explicitly. Additionally, we present some expectation values and isotope energies of the Li isoelectronic series. © 1997 John Wiley & Sons, Inc.

Additional Material: 11 Tab.

Type of Medium: Electronic Resource

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