Two‐level hierarchical parallelization of second‐order Møller–plesset perturbation calculations in divide‐and‐conquer method-Reference-Cited by-同舟云学术

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Two‐level hierarchical parallelization of second‐order Møller–plesset perturbation calculations in divide‐and‐conquer method

Published:2011-07-05 Issue:13 Volume:32 Page:2756-2764
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Katouda Michio¹,Kobayashi Masato¹²,Nakai Hiromi¹²³⁴,Nagase Shigeru¹

Affiliation:

1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444‐8585, Japan

2. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo 169‐8555, Japan

3. Research Institute for Science and Engineering, Waseda University, Tokyo 169‐8555, Japan

4. CREST, Japan Science and Technology Agency, Tokyo 102‐0075, Japan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.21855

Reference113 articles.

1. A Chemist's Guide to Density Functional Theory

2. A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction

3. Self-interaction correction to density-functional approximations for many-electron systems

4. Can (semi)local density functional theory account for the London dispersion forces?

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1. Multi-level parallelization of quantum-chemical calculations;The Journal of Chemical Physics;2023-04-26

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

3. Enabling large-scale correlated electronic structure calculations;Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis;2021-11-13

4. Development of Linear-Scaling Relativistic Quantum Chemistry Covering the Periodic Table;Bulletin of the Chemical Society of Japan;2021-06-15

5. Q-MP2-OS: Møller–Plesset Correlation Energy by Quadrature;Journal of Chemical Theory and Computation;2020-01-23

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