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Handbook of Relativistic Quantum Chemistry pp 531–545Cite as

Relativistic Explicit Correlation: Problemsand Solutions

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Abstract

The fundamental problems inherent in relativistic explicit correlation are highlighted, with practical suggestions for guiding future development of relativistic explicitly correlated wave function methods.

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Acknowledgements

The research of this work was supported by grants from the National Natural Science Foundation of China (Project Nos. 21033001, 21273011, 21290192, and 11471025).

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Authors and Affiliations

  1. Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, and Center for Computational Science and Engineering, Peking University, Beijing, People’s Republic of China

    Wenjian Liu

  2. LMAM and School of Mathematical Sciences, Peking University, Beijing, China

    Sihong Shao

  3. Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, and Center for Computational Science and Engineering, Peking University, Beijing, People’s Republic of China

    Zhendong Li

Authors
  1. Wenjian Liu
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  2. Sihong Shao
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  3. Zhendong Li
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Corresponding author

Correspondence to Wenjian Liu .

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Editors and Affiliations

  1. Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering and Center for Computational Science and Engineering, Peking University, Beijing, China

    Wenjian Liu

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Liu, W., Shao, S., Li, Z. (2017). Relativistic Explicit Correlation: Problemsand Solutions. In: Liu, W. (eds) Handbook of Relativistic Quantum Chemistry. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-40766-6_9

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