UV-Vis spectra

V Barone, C Puzzarini, G Mancini, Integration of theory, simulation, artificial intelligence and virtual reality: a four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy, PCCP 23, 17079 (2021)

Computational Strategies for Spectroscopy, ed V Barone (Wiley, 2012) – google

J M Hollas, Modern Spectroscopy (Wiley, 2004), 4ed

C Bustamante, E Gadea, T Todorov, A Horsfield, L Stella, D Scherlis, Fluorescence in quantum dynamics: Accurate spectra require post-mean-field approaches, JCP 158, 144104 (2023) – doi

K Lively, G Albareda, S Sato, A Kelly, A Rubio, Simulating Vibronic Spectra without Born-Oppenheimer Surfaces, JPCL 12, 3074 (2021)

F J A Ferrer, J Cerezo, E Stendardo, R Improta, F Santoro, Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation, JCTC 9, 2072 (2013)

K A Velizhanin, H Wang, Dynamics of electron transfer reactions in the presence of mode mixing: Comparison of a generalized master equation approach with the numerically exact simulation, JCP 131, 094109 (2009)

V Barone, J Bloino, M Biczysko, Vibrationally-resolved electronic spectra in GAUSSIAN 09, private publication (2009)

V Barone, J Bloino, M Biczysko, F Santoro, Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems, JCTC 5, 540 (2009)

M Dierksen, S Grimme, An efficient approach for the calculation of Franck-Condon integrals of large molecules, JCP 122, 244101 (2005)

P Ruhoff, Recursion relations for multi-dimensional Franck-Condon overlap integrals, CP 186, 355 (1994)

T E Sharp, H M Rosenstock, Franck-Condon factors for polyatomic molecules, JCP 41, 3453 (1964)