The potential energy surface of CO2 from an algebraic approach
✍ Scribed by M. Sánchez-Castellanos; R. Lemus; M. Carvajal; F. Pérez-Bernal
- Book ID
- 112185705
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 185 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
Ab initio calculations have been carried out, over an extended range of relative distances and geometries, to obtain the SCF potential energy surface that describes the ground-state interaction between H+ and the CO2 molecular target treated as a rigid rotor. Various aspects of the forces are discus
The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1