Mapping between local potentials and ground state densities
β Scribed by J. Katriel; C. J. Appellof; E. R. Davidson
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 397 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0020-7608
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β¦ Synopsis
Abstract
The mapping between the local oneβbody 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 nonβV representable densities is encountered.
π SIMILAR VOLUMES
The similarities among the molecular contours of three scalar fields, viz. electron density (ED), electrostatic potential (ESP) and bare nuclear potential (BNP) have been investigated. The topological resemblance between ESP and ED contour diagrams (as prompted by the Thomas-Fermi model)is more pron