Correlation energy estimators based on Møller-Plesset perturbation theory
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چکیده
منابع مشابه
Correlation Energy Estimators based on Møller-Plesset Perturbation Theory
Some methods for the convergence acceleration of the Møller-Plesset perturbation series for the correlation energy are discussed. The order-by-order summation is less effective than the Feenberg series. The latter is obtained by renormalizing the unperturbed Hamilton operator by a constant factor that is optimized for the third order energy. In the fifth order case, the Feenberg series can be i...
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ژورنال
عنوان ژورنال: Journal of Molecular Structure: THEOCHEM
سال: 1996
ISSN: 0166-1280
DOI: 10.1016/0166-1280(96)04508-3