Compressed-State Multistate Pair-Density Functional Theory-Reference-Cited by-同舟云学术

Compressed-State Multistate Pair-Density Functional Theory

Published:2020-11-03 Issue:12 Volume:16 Page:7444-7452
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bao Jie J.¹^ORCID,Zhou Chen¹^ORCID,Truhlar Donald G.¹^ORCID

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Funder

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00908

Reference77 articles.

1. Multiconfiguration Pair-Density Functional Theory

2. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems

3. The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations

4. MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem

5. Second-order perturbation theory with a CASSCF reference function

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