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JCC
2002
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JCC 2002
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Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions
13 years 11 months ago
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ccl.scc.kyushu-u.ac.jp
: 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
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