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Mapping between local potentials and ground state densities
Author(s) -
Katriel J.,
Appellof C. J.,
Davidson E. R.
Publication year - 1981
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.560190210
Subject(s) - degenerate energy levels , ground state , unitary state , space (punctuation) , transformation (genetics) , measure (data warehouse) , unitary transformation , set (abstract data type) , physics , state (computer science) , chemistry , quantum mechanics , mathematics , algorithm , data mining , computer science , biochemistry , political science , law , quantum , gene , programming language , operating system
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.