Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems-Reference-Cited by-同舟云学术

Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems

Published:2018-10-26 Issue:10 Volume:40 Page:1130-1140
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Ni Zhigang¹,Li Wei¹^ORCID,Li Shuhua¹^ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE; Institute of Theoretical and Computational Chemistry, Nanjing University; Nanjing 210023 People's Republic of China

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Nanjing University

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25730/fullpdf

Reference86 articles.

1. Localizability of dynamic electron correlation

2. Local configuration interaction: An efficient approach for larger molecules

3. Fourth‐order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method

4. The local correlation treatment. II. Implementation and tests

5. Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)

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