Resolvent operator approach to many-body perturbation theory. III. Applications
- 15 February 1982
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (4) , 1995-2002
- https://doi.org/10.1063/1.443172
Abstract
The resolvent-based closed- and open-shell MBPT developed in the previous papers have been applied for the calculation of ionization potentials (I.P.), electron afinities (E.A.), excitation energies (E.E.), and correlation energies (C.E.) of several prototype atomic and molecular systems. The calculations for I.P., E.A., and C.E. have been performed though third order and the E.E.’s have been calculated through second order. The results presented here are intended to illustrate the utilization of our new MBPT technique and to permit us to compare and check our results with those of other workers who have calculated the above properties using different methods.Keywords
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