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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.