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

Zhigang Ni1, Wei Li1, Shuhua Li1

  • 1School 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.

Journal of Computational Chemistry
|October 27, 2018
PubMed

Keywords:
cluster-in-moleculecoupled clusterlarge systemslocal correlationsecond-order Møller-Plesset perturbation theory

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