Description of ground and excited electronic states by ensemble density functional method with extended active space-Reference-Cited by-同舟云学术

Description of ground and excited electronic states by ensemble density functional method with extended active space

Published:2017-08-14 Issue:6 Volume:147 Page:064104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Filatov Michael¹,Martínez Todd J.²^ORCID,Kim Kwang S.¹^ORCID

Affiliation:

1. Department of Chemistry, School of Natural Sciences, Ulsan National Institute of Science and Technology (UNIST), Ulsan 44919, South Korea

2. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA and SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA

Funder

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4996873

Reference90 articles.

1. Second‐order perturbation theory with a complete active space self‐consistent field reference function

2. A perspective on the CASPT2 method

3. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

4. Self-Consistent Equations Including Exchange and Correlation Effects

5. Inhomogeneous Electron Gas

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