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Density functionals for the Yukawa electron-electron interaction (1995)

Savin, Andreas ; Flad, Heinz-Jürgen

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 56 (1995), S. 327-332

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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: Short-range nonclassical electron-electron interaction is described by a density functional in a scheme that allows multideterminant wave functions. The parameter that determines the coupling with the configuration-interaction-type calculations can be chosen in a controlled manner. Results are presented for the He and the Be series using a Yukawa-type interaction. © 1995 John Wiley & Sons, Inc.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560560417

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