Author: Pastore Mariachiara Angeli Celestino Cimiraglia Renzo
Publisher: Springer Publishing Company
ISSN: 1432-881X
Source: Theoretical Chemistry Accounts, Vol.118, Iss.1, 2007-07, pp. : 35-46
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Abstract
The vertical electronic spectrum of the thiophene molecule is investigated by means of second and third order multireference perturbation theory (NEVPT). Single-state and quasi-degenerate NEVPT calculations of more than 25 singlet excited states have been performed. The study is addressed to the theoretical characterization of the four lowest-energy
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