Open AccessCommunication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicals
Author(s) -
JeanPaul Malrieu,
Georges Trinquier
Publication year - 2016
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4953040
Subject(s) - antiferromagnetism , symmetry (geometry) , singlet state , density functional theory , character (mathematics) , energy spectrum , theoretical physics , physics , state (computer science) , condensed matter physics , computer science , quantum mechanics , mathematics , geometry , algorithm , excited state
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