Mathematical thoughts in DFT
Author(s) -
Levy Mel
Publication year - 2016
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.25133
Subject(s) - scaling , ground state , density functional theory , energy (signal processing) , statistical physics , state (computer science) , zero (linguistics) , energy density , physics , theoretical physics , mathematics , computational chemistry , quantum mechanics , chemistry , algorithm , geometry , linguistics , philosophy
A few problems in DFT are posed that have mathematical flavors. Is there a coordinate scaling equality for the correlation energy with an arbitrary density? Is it possible to obtain the exact ground‐state energy from the exact ground‐state density, or does the presence of certain functionals with zero functional derivatives prevent this? How common are non‐v‐representable densities? © 2016 Wiley Periodicals, Inc.