Potential Energy Curves for the 1 Σ + and 1,3 Π States of CO †
✍ Scribed by Vázquez, G. J.; Amero, J. M.; Liebermann, H. P.; Lefebvre-Brion, H.
- Book ID
- 119965485
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 268 KB
- Volume
- 113
- Category
- Article
- ISSN
- 1089-5639
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📜 SIMILAR VOLUMES
We report new potential energy curves for the X 1 + and A 1 states of the CO molecule by employing the realistic extended Hartree-Fock approximate correlation energy model for diatomics with inclusion of the united-atom limit (EHFACE2U). Special care has been taken to describe the A 1 potential maxi
Ab initio contiguration-interaction calculations using a 9sSpl3s2p gaussian basis supplemented with polarization functions are presented for potential curves for the a 'Z+and the louest 3~ state of CN+\_ The txxo states arc very close in energy and calculations at this ievel do not give an unequivoc