Open AccessAccurate Vertical Excitation Energies of BODIPY/Aza-BODIPY Derivatives from Excited-State Mean-Field Calculations
Author(s) -
Daniele Toffoli,
Matteo Quarin,
Giovanna Fronzoni,
Mauro Stener
Publication year - 2022
Publication title -
the journal of physical chemistry. a/the journal of physical chemistry. a.
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.2c04473
Subject(s) - time dependent density functional theory , bodipy , excitation , excited state , wave function , hybrid functional , benchmark (surveying) , homo/lumo , density functional theory , chemistry , computational chemistry , molecular physics , physics , atomic physics , quantum mechanics , molecule , fluorescence , geodesy , geography