Understanding the impact of correlation on bond length alternation in polyenes
Author(s) -
Nicolas Suaud,
Nadia Ben Amor,
Nathalie Guihéry,
JeanPaul Malrieu
Publication year - 2021
Publication title -
theoretical chemistry accounts
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.431
H-Index - 108
eISSN - 1432-881X
pISSN - 1432-2234
DOI - 10.1007/s00214-021-02769-2
Subject(s) - antibonding molecular orbital , chemistry , generalized valence bond , atomic orbital , wave function , bond length , chemical physics , molecular physics , bond order , condensed matter physics , electron , atomic physics , physics , crystallography , quantum mechanics , crystal structure
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