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Formulation of N- and ν-representable density functional theory. V. Exchange-only self-consistent field (1992)

Kryachko, Eugene S. ; Ludeña, Eduardo V.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 43 (1992), S. 769-782

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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: The concept of a self-consistent field is developed within the version of density functional theory based on local-scaling transformations. It is shown that in this context there arise two types of consistency: one relating to the charge-consistency within an orbit and another to “orbit jumping.” The latter is analyzed in terms of one-particle equations. The connection with other methods is discussed. © 1992 John Wiley & Sons, Inc.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560430605

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