Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra†
Abstract
The calculation of the vibrational structure associated to
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* Corresponding authors
a
CNR – Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR), UOS di Pisa, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy
E-mail:
fabrizio.santoro@iccom.cnr.it
The calculation of the vibrational structure associated to
F. J. Avila Ferrer and F. Santoro, Phys. Chem. Chem. Phys., 2012, 14, 13549 DOI: 10.1039/C2CP41169E
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