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The acceleration of convergence of many-body perturbation theory: unlinked-graph shift in Møller-Plesset perturbation theory

✍ Scribed by Klaus Dietz; Christoph Schmidt; Markus Warken; Bernd A. Hess

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
474 KB
Volume
207
Category
Article
ISSN
0009-2614

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✦ Synopsis

We recently proposed (parts I and II' of this series of publications) a new method of infinite subsummation in the Mlrller-Plesset perturbation series with the objective of "effecting wnvergenee of otherwise divergent series". In the present work we undertake to study the importance of a shift of unlinked graphs in the Meller-Plesset renormalization term. We demonstrate that this modification of many-body perturbation theory presents a viable starting point for new approximations devised to obtain a substantial fraction of the correlation energy at low order. We present an explicit investigation of the excited states of LiH in a suitable full-CI model space, using our method to calculate the correlation energy and monitoring convergence up to tenth order.

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