Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework
Author(s) -
Iulia Emilia Brumboiu,
Dirk R. Rehn,
Andreas Dreuw,
Young Min Rhee,
Patrick Norman
Publication year - 2021
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 - 10.1063/5.0058221
Subject(s) - excited state , valence (chemistry) , atomic physics , chemistry , molecular physics , physics , quantum mechanics
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