Localized Active Space Pair-Density Functional Theory-Reference-Cited by-同舟云学术

Localized Active Space Pair-Density Functional Theory

Published:2021-04-26 Issue:5 Volume:17 Page:2843-2851
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pandharkar Riddhish¹^ORCID,Hermes Matthew R.¹^ORCID,Cramer Christopher J.²^ORCID,Truhlar Donald G.²^ORCID,Gagliardi Laura¹^ORCID

Affiliation:

1. Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, The University of Chicago, 5735 S Ellis Avenue, Chicago, Illinois 60637, United States

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

Funder

Basic Energy 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.1c00067

Reference44 articles.

1. Correlation Problem in Many-Electron Quantum Mechanics I. Review of Different Approaches and Discussion of Some Current Ideas

2. Massive Electrical Conductivity Enhancement of Multilayer Graphene/Polystyrene Composites Using a Nonconductive Filler

3. Perspective: Multireference coupled cluster theories of dynamical electron correlation