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Multireference Møller—Plesset method

✍ Scribed by K. Hirao

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
418 KB
Volume
190
Category
Article
ISSN
0009-2614

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✦ Synopsis

A multireference Moller-Plesset method is derived. The state-specific nondynamical correlation is accounted for by the MCSCF theory and the transferable dynamical correlation is estimated by the Moller-Plesset perturbation theory. There is a very close parallel between the standard single reference M~ller-Plesset theory and the present multireference version. The method has been implemented at the second-order for 2-configuration MCSCF wavefunctions in which only two electrons are correlated. Potential curves for H2, HF and F2 molecules agree well with the full or near-full CI results.

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