Development of Xi'an-CI package – applying the hole–particle symmetry in multi-reference electronic correlation calculations-Reference-Cited by-同舟云学术

Development of Xi'an-CI package – applying the hole–particle symmetry in multi-reference electronic correlation calculations

Published:2018-03-23 Issue:7-8 Volume:116 Page:1051-1064
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Suo Bingbing¹,Lei Yibo²,Han Huixian³,Wang Yubin¹

Affiliation:

1. Shaanxi Key Laboratory for Theoretical Physics Frontiers, Institute of Modern Physics, Northwest University, Xi'an, People's Republic of China

2. Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an, China

3. School of Physics, Northwest University, Xi'an, China

Funder

National Key R&D Program of China

National Natural Science Foundation of China

Double First-class University Construction Project of Northwest University

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2018.1441464

Reference82 articles.

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

2. Second‐order perturbation theory with a complete active space self‐consistent field reference function

3. Third-order multireference perturbation theory The CASPT3 method

4. Multireference Nature of Chemistry: The Coupled-Cluster View

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