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Certain limitations in the application of moment theory

โœ Scribed by W.J.C. Grant

Publisher
Elsevier Science
Year
1965
Weight
40 KB
Volume
31
Category
Article
ISSN
0031-8914

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Limitations of density functional theory
Limitations of density functional theory in application to degenerate states
โœ Bersuker, Isaac B. ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 238 KB ๐Ÿ‘ 2 views

It is shown that the claims that density functional theory DFT can handle orbitally degenerate states are ungrounded. The constraint search formulation of DFT allows one to determine a set of densities and eigenvalues for the degenerate term that, however, are neither observables, nor can they be us