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Mapping between local potentials and ground state densities (1981)

Katriel, J. ; Appellof, C. J. ; Davidson, E. R.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 19 (1981), S. 293-300

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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 mapping between the local one-body potential and the ground state density is discussed. The role of degenerate ground states, which form a set of measure zero in potential space, is shown to be amplified by the unitary transformation between degenerate densities, forming a space filling set in density space. A numerical experiment demonstrating these features is carried out. No indication of non-V representable densities is encountered.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560190210

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