Theories for individual excited states

摘要

Variational and nonvariational density functional theories of a single excited state are reviewed. The asymptotic behavior of the exchange correlation potential in these theories is studied. Generalized OPM and KLI approximations are discussed. Cusp relation for the Kohn-Sham and exchange correlation potentials is proved in the KLI approximation. (C) 2004 Wiley Periodicals, Inc.