A General Sparse Tensor Framework for Electronic Structure Theory-Reference-Cited by-同舟云学术

A General Sparse Tensor Framework for Electronic Structure Theory

Published:2017-02-14 Issue:3 Volume:13 Page:1108-1116
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Manzer Samuel¹²,Epifanovsky Evgeny³,Krylov Anna I.⁴,Head-Gordon Martin¹²^ORCID

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California − Berkeley, Berkeley, California 94720, United States

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

3. Q-Chem, Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588, United States

4. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States

Funder

Army Research Office

Basic Energy Sciences

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00853

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5. Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems

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