COORDINATE SCALING AND ADIABATIC CONNECTION FORMULA FOR ENSEMBLES OF FRACTIONALLY OCCUPIED EXCITED STATES

摘要

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. (C) 1995 John Wiley & Sons, Inc. [References: 13]