THE ACCELERATION OF CONVERGENCE OF MANY-BODY PERTURBATION-THEORY - UNLINKED-GRAPH SHIFT IN MOLLER-PLESSET PERTURBATION-THEORY

被引:15
作者
DIETZ, K [1 ]
SCHMIDT, C [1 ]
WARKEN, M [1 ]
HESS, BA [1 ]
机构
[1] UNIV BONN,INST PHYS & THEORET CHEM,W-5300 BONN,GERMANY
关键词
D O I
10.1016/0009-2614(93)87027-Z
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We recently proposed (parts I and II of this series of publications) a new method of infinite subsummation in the Moller-Plesset perturbation series with the objective of ''effecting convergence of otherwise divergent series''. In the present work we undertake to study the importance of a shift of unlinked graphs in the Moller-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.
引用
收藏
页码:281 / 286
页数:6
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