Abstract

For pt.I see ibid., vol.12, p.L135 (1979). The method of scaling in second-order electron correlation calculations is extended to take account of the importance of triply excited and quadruply excited configurations in the perturbative expansion of the correlation energy with respect to a single-determinantal reference function for a closed-shell system. It is shown that the scaling parameter may be chosen so that these higher order components of the correlation energy may be neglected. The results of prototype calculations for the molecules CH4, NH3, OH2, FH and N2 are presented.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.