화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.16, 6461-6464, 2000
A summation procedure that improves the accuracy of the fourth-order Moller-Plesset perturbation theory
A procedure is demonstrated for summing the Moller-Plesset many-body perturbation expansion based on the ability of quadratic summation approximants to locate branch point singularities in the complex plane of the perturbation parameter. Accuracy comparable to that from CCSDT coupled-cluster calculations is obtained using fourth-order perturbation theory.