THE FEENBERG SERIES - AN ALTERNATIVE TO THE MOLLER-PLESSET SERIES

Citation
C. Schmidt et al., THE FEENBERG SERIES - AN ALTERNATIVE TO THE MOLLER-PLESSET SERIES, Chemical physics letters, 211(2-3), 1993, pp. 272-281
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
211
Issue
2-3
Year of publication
1993
Pages
272 - 281
Database
ISI
SICI code
0009-2614(1993)211:2-3<272:TFS-AA>2.0.ZU;2-X
Abstract
The Feenberg series is reintroduced as a perturbation series with impr oved convergence characteristics for quantum-chemistry calculations. I t is defined through a scaling of H0, the parameter being defined such that the third-order correction is zero. The Feenberg series is sugge sted as an improvement to the Moller-Plesset series, the fourth-order energy being trivially obtained in terms of MP2, MP3 and MP4 energies. Benchmark studies are reported, where it is found that if MP3 < 0, th en the Feenberg fourth-order energy is better than the MP energy at fi fth order, and if MP3 > 0, the perturbation series is smoothed.