Second-order state-specific multireference Møller Plesset perturbation theory : Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene

The complete active space spin-free state-specific multireference Møller-Plesset perturbation theory (SS-MRMPPT) based on the Rayleigh-Schrödinger expansion has proved to be very successful in describing electronic states of model and real molecular systems with predictive accuracy. The SS-MRMPPT me...

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Veröffentlicht in:	Journal of computational chemistry. - 1984. - 32(2011), 2 vom: 30. Jan., Seite 325-37
1. Verfasser:	Mahapatra, Uttam Sinha (VerfasserIn)
Weitere Verfasser:	Chattopadhyay, Sudip, Chaudhuri, Rajat K
Format:	Online-Aufsatz
Sprache:	English
Veröffentlicht:	2011
Zugriff auf das übergeordnete Werk:	Journal of computational chemistry
Schlagworte:	Journal Article