Back to Search
Start Over
A theoretical spectroscopy study of the X3Sigma- and the A3Pi states of the C2S radical
- Source :
- Molecular Physics, Molecular Physics, Taylor & Francis, 2007, 105 (09), pp.1129-1137. ⟨10.1080/00268970701218704⟩
- Publication Year :
- 2007
- Publisher :
- HAL CCSD, 2007.
-
Abstract
- International audience; The spin-rovibronic levels for the X3Sigma-,A3Pi 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 approx 16500 cm-1, are reported and compared with available experimental data.
- Subjects :
- AB INITIO CALCULATIONS
Biophysics
Ab initio
010402 general chemistry
7. Clean energy
01 natural sciences
Molecular physics
Ab initio quantum chemistry methods
0103 physical sciences
Physical and Theoretical Chemistry
Physics::Chemical Physics
Spectroscopy
NON-ADIABATIC COUPLING
Molecular Biology
Electronic systems
THEORETICAL SPECTROSCOPY
Coupling
010304 chemical physics
Chemistry
DIABATIC STATES
Condensed Matter Physics
Potential energy
Symmetry (physics)
0104 chemical sciences
Physical Sciences
TRIATOMIC RADICALS
Atomic physics
Subjects
Details
- Language :
- English
- ISSN :
- 00268976 and 13623028
- Database :
- OpenAIRE
- Journal :
- Molecular Physics, Molecular Physics, Taylor & Francis, 2007, 105 (09), pp.1129-1137. ⟨10.1080/00268970701218704⟩
- Accession number :
- edsair.doi.dedup.....9faad6a9ccb797af762a452f19742421
- Full Text :
- https://doi.org/10.1080/00268970701218704⟩