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
β¦ LIBER β¦
The potential surface in the ground electronic state of HCP with the isomerization process: The validity of calculating potential surface with DFT methods
β Scribed by Ruqing Xu; Changrong Su; Junkai Xie; Jiaming Li
- Book ID
- 111783768
- Publisher
- SP Science China Press
- Year
- 2002
- Tongue
- English
- Weight
- 510 KB
- Volume
- 45
- Category
- Article
- ISSN
- 1674-7283
- DOI
- 10.1360/02ys9010
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