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Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches.
David, Grégoire; Irons, Tom J P; Fouda, Adam E A; Furness, James W; Teale, Andrew M.
Affiliation
  • David G; School of Chemistry, University of Nottingham, Nottingham NG7 2RD, U.K.
  • Irons TJP; School of Chemistry, University of Nottingham, Nottingham NG7 2RD, U.K.
  • Fouda AEA; School of Chemistry, University of Nottingham, Nottingham NG7 2RD, U.K.
  • Furness JW; Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States.
  • Teale AM; Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118, United States.
J Chem Theory Comput ; 17(9): 5492-5508, 2021 Sep 14.
Article in En | MEDLINE | ID: mdl-34517708
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Reino Unido
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Reino Unido