New implementation of the configuration-based multi-reference second order perturbation theory-Reference-Cited by-同舟云学术

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New implementation of the configuration-based multi-reference second order perturbation theory

Published:2012-10-14 Issue:14 Volume:137 Page:144102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Lei Yibo,Wang Yubin,Han Huixian,Song Qi,Suo Bingbing,Wen Zhenyi

Funder

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4757264

Reference88 articles.

1. Note on an Approximation Treatment for Many-Electron Systems

2. Analysis of ab initio effective valence shell Hamiltonian calculations using third order quasidegenerate many‐body perturbation theory

3. A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction

4. Second-order perturbation theory with a CASSCF reference function

5. Application of direct CI method to approximate SDCI

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