Open AccessCore–hole delocalization for modeling x-ray spectroscopies: A cautionary tale
Author(s) -
Iulia Emilia Brumboiu,
Thomas Fransson
Publication year - 2022
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 - 10.1063/5.0088195
Subject(s) - delocalized electron , atomic orbital , physics , core electron , atomic physics , density functional theory , ionization , relaxation (psychology) , excited state , core (optical fiber) , ground state , molecular physics , electron , chemistry , condensed matter physics , quantum mechanics , ion , optics , social psychology , psychology
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