Formulation of  N ‐ and ν‐representable density functional theory. V. Exchange‐only self‐consistent field | Zendy

Kryachko Eugene S. | Zendy; Ludeña Eduardo V. | Zendy

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Formulation of N ‐ and ν‐representable density functional theory. V. Exchange‐only self‐consistent field

Author(s) -

Kryachko Eugene S.,

Ludeña Eduardo V.

Publication year - 1992

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560430605

Subject(s) - consistency (knowledge bases) , connection (principal bundle) , density functional theory , context (archaeology) , scaling , orbit (dynamics) , physics , functional theory , charge (physics) , statistical physics , field (mathematics) , theoretical physics , mathematical physics , quantum mechanics , classical mechanics , mathematics , pure mathematics , geometry , engineering , paleontology , biology , aerospace engineering

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.

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