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Title: 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

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]
  1. Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1576805
Grant/Contract Number:  
ACO2-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Lee, Joonho, Small, David W., and Head-Gordon, Martin. 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. United States: N. p., 2019. Web. doi:10.1063/1.5128795.
Lee, Joonho, Small, David W., & Head-Gordon, Martin. 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. United States. doi:10.1063/1.5128795.
Lee, Joonho, Small, David W., and Head-Gordon, Martin. Sat . "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". United States. doi:10.1063/1.5128795.
@article{osti_1576805,
title = {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},
author = {Lee, Joonho and Small, David W. and Head-Gordon, Martin},
abstractNote = {},
doi = {10.1063/1.5128795},
journal = {Journal of Chemical Physics},
number = 21,
volume = 151,
place = {United States},
year = {2019},
month = {12}
}

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