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Coordinate scaling and adiabatic connection formula for ensembles of fractionally occupied excited states
Author(s) -
Nagy Á.
Publication year - 1995
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.560560406
Subject(s) - scaling , adiabatic process , connection (principal bundle) , excited state , density functional theory , density matrix , physics , ground state , quantum mechanics , statistical physics , state (computer science) , mathematics , geometry , quantum , algorithm
The coordinate scaling for the density matrix of ensembles of fractional occupied states of the density functional theory is explored. The ground‐state adiabatic connection formula is extended to the ensemble exchange‐correlation energy. © 1995 John Wiley & Sons, Inc.