Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states-Reference-Cited by-同舟云学术

Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states

Published:2019-12-07 Issue:21 Volume:151 Page:214103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Lee Joonho¹^ORCID,Small David W.¹,Head-Gordon Martin¹^ORCID

Affiliation:

1. Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5128795

Reference84 articles.

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

2. Coupled-cluster theory in quantum chemistry

3. Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space