The spin-rovibronic levels for the X3Sigma-,A3P electronic system of C2S are calculated variationally, using ab initio potential energy surfaces and taking into account the non-adiabatic coupling between the two states. The energies of selected levels with Sigma and Pi vibronic symmetry, up to approx16500 cm-1, are reported and compared with available experimental data.
A theoretical spectroscopy study of the X3Sigma- and the A3Pi states of the C2S radical
TARRONI, RICCARDO;
2007
Abstract
The spin-rovibronic levels for the X3Sigma-,A3P electronic system of C2S are calculated variationally, using ab initio potential energy surfaces and taking into account the non-adiabatic coupling between the two states. The energies of selected levels with Sigma and Pi vibronic symmetry, up to approx16500 cm-1, are reported and compared with available experimental data.File in questo prodotto:
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