| Article ID | Journal | Published Year | Pages | File Type | 
|---|---|---|---|---|
| 9575277 | Chemical Physics | 2005 | 10 Pages | 
Abstract
												A multireference configuration interaction (MRCI) approach, based on complete-active-space self-consistent-field (CASSCF) wave functions and correlation-consistent polarized-valence quintuple-zeta (cc-pV5Z) basis sets were employed to revise the lowest-lying singlet, triplet, and quintuplet electronic states of SiC, correlating with the two lowest-lying atomic dissociation channels. Besides describing the already known electronic states, excitation energies, equilibrium internuclear distances, dissociation energies, and spectroscopic constants for sixteen new electronic states will be reported.
											Keywords
												
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											Authors
												Antonio Carlos Borin, João Paulo Gobbo, Renata de Souza Batista, Luiz Guilherme M. de Macedo, 
											