Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation-Reference-Cited by-同舟云学术

Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation

Published:2024-09-02 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Shi Tianyi¹^ORCID,Wang Zhenling²³^ORCID,Aldossary Abdulrahman⁴^ORCID,Liu Yang¹,Li Xiaoye S.¹,Head-Gordon Martin²³^ORCID

Affiliation:

1. Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

2. Department of Chemistry, University of California, Berkeley, California 94720, United States

3. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

4. Department of Chemistry, University of Toronto, Toronto, Ontario M5S 1A1, Canada

Funder

Advanced Scientific Computing Research

Basic Energy Sciences

Office of Science

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c01016

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