Extended separated-pair approximation for transition metal potential energy curves-Reference-Cited by-同舟云学术

Extended separated-pair approximation for transition metal potential energy curves

Published:2020-03-31 Issue:12 Volume:152 Page:124118
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Li Shuhang J.¹²^ORCID,Gagliardi Laura¹^ORCID,Truhlar Donald G.¹^ORCID

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA

2. College of Chemistry, Nankai University, Tianjin 300071, People’s Republic of China

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/5.0003048

Reference73 articles.

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5. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

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