Sciweavers

JCC
2002
67views more  JCC 2002»
13 years 11 months ago
Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions
: The quasi-degenerate perturbation theory (QDPT) with complete active space (CAS) self-consistent field (SCF) reference functions is extended to the general multiconfiguration (MC...
Haruyuki Nakano, Ryuma Uchiyama, Kimihiko Hirao