Open AccessThe excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states
Author(s) -
Michael H. Palmer,
Nykola C. Jones,
Søren Vrønning Hoffmann,
R. A. Aitken,
Marcello Coreno,
Monica de Simone,
Cesare Grazioli,
Iain L. J. Patterson
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 - 10.1063/5.0106697
Subject(s) - time dependent density functional theory , rydberg formula , excited state , atomic physics , chemistry , density functional theory , valence (chemistry) , molecular physics , physics , ionization , computational chemistry , ion , organic chemistry
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