Third-Order Many-Body Expansion of OSV-MP2 Wave Function for Low-Order Scaling Analytical Gradient Computation-Reference-Cited by-同舟云学术

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Third-Order Many-Body Expansion of OSV-MP2 Wave Function for Low-Order Scaling Analytical Gradient Computation

Published:2021-10-27 Issue:11 Volume:17 Page:6841-6860
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liang Qiujiang¹,Yang Jun¹^ORCID

Affiliation:

1. Department of Chemistry, The University of Hong Kong, Hong Kong SAR, P. R. China

Funder

Research Grants Council, University Grants Committee

Innovation and Technology Commission

Computational Initiative, Faculty of Science, The University of Hong Kong

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00581

Reference110 articles.

1. Localizability of dynamic electron correlation

2. Density Functional and Density Matrix Method Scaling Linearly with the Number of Atoms

3. Non-iterative local second order Møller–Plesset theory

4. Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems

5. Closely approximating second-order Mo/ller–Plesset perturbation theory with a local triatomics in molecules model

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