Ab initio potential energy curves and binding energies of Ar 2 and Mg 2
β Scribed by Tao, Fu-Ming; Pan, Yuh-Kang
- Book ID
- 120012027
- Publisher
- Taylor and Francis Group
- Year
- 1994
- Tongue
- English
- Weight
- 752 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0026-8976
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Potential enera surfaces for the grotmd and excited state interactions of Hz with H$ have been c&x&ted using SCF and CI techniques. Six geometries have been studied, in which the Hz and G bond lengths were restricted to their eqtii mm values, and t3e intermolecular Hz-G distance was varied from 05 t
## Abstract A threeβdimensional potential energy surface of the electronic ground state of ZnH~2~ (${X}^1\sum \_g^ +$) molecule is constructed from more than 7500 __ab initio__ points calculated at the internally contracted multireference configuration interaction with the Davidson correction (icMR