Energy‐based automatic determination of buffer region in the divide‐and‐conquer second‐order Møller–Plesset perturbation theory-Reference-Cited by-同舟云学术

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Energy‐based automatic determination of buffer region in the divide‐and‐conquer second‐order Møller–Plesset perturbation theory

Published:2021-02-03 Issue:9 Volume:42 Page:620-629
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Fujimori Toshikazu¹,Kobayashi Masato²³⁴^ORCID,Taketsugu Tetsuya²³⁴^ORCID

Affiliation:

1. Graduate School of Chemical Sciences and Engineering Hokkaido University Sapporo Japan

2. Department of Chemistry, Faculty of Science Hokkaido University Sapporo Japan

3. WPI‐ICReDD Hokkaido University Sapporo Japan

4. ESICB, Kyoto University Kyoto Japan

Funder

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26486

Reference63 articles.

1. Density Functional Theory in Quantum Chemistry

2. Note on an Approximation Treatment for Many-Electron Systems

3. Molecular Electronic-Structure Theory

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Local Second-Order Møller–Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment;Journal of Chemical Theory and Computation;2023-10-25

2. Divide-and-Conquer Linear-Scaling Quantum Chemical Computations;The Journal of Physical Chemistry A;2023-01-11

3. Automatic Determination of Buffer Region in Divide-anc-Conquer Quantum Chemical Calculations;Journal of Computer Chemistry, Japan;2021

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