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The Feenberg series. An alternative to the Møller-Plesset series

✍ Scribed by Christoph Schmidt; Markus Warken; Nicholas C. Handy

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
829 KB
Volume
211
Category
Article
ISSN
0009-2614

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✦ Synopsis

The Feenberg series is reintroduced as a perturbation series with improved convergence characteristics for quantum-chemistry calculations. It is defined through a scaling of H,, the parameter being defined such that the third-order correction is zero. The Feenberg series is suggested as an improvement to the M&r-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 i 0, then the Feenberg fourth-order energy is better than the MP energy at fifth order, and if MP3 > 0, the perturbation series is smoothed.

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