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Projected UMP2 method

PUMP2 Projected (—>) UMP2 method, whereby higher spin contaminants are removed from the UMP2 wavefunction. [Pg.88]

While projection methods for removing spin contamination are not recommended at the HF level, they work quite well at the UMP level. Formulas have been derived for removing all contaminants at the UMP2 level, and also the firet few states at the UMP3 and UMP4 levels. The associated acronyms are PUMP and PMP,... [Pg.132]

See other pages where Projected UMP2 method is mentioned: [Pg.81] [Pg.68] [Pg.36] [Pg.132] [Pg.168] [Pg.65] [Pg.72] [Pg.74] [Pg.2667] [Pg.74]

See also in sourсe #XX -- [ Pg.17 , Pg.35 , Pg.62 , Pg.73 , Pg.87 ]

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Projection method

UMP2 method