Potential energy surface for linear triatomic molecules: An algebraic method
โ Scribed by Yujun Zheng; Shiliang Ding
- Book ID
- 110377449
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 110 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0259-9791
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
A coordinate representation for a polenlial energy surface is derived usmg the semiclassical hmil of the algebrax Hamihonian This provides a direct route rrom the observed ovenone spectrum IO a potential. The limilalions of this potenual are noted. Applicallons lo HCN. H,O. SO2 and 0, are reported.
A program has been developed in order to fit analytical power series expansions (Dunham, Simon-Parr-Finlan, Ogilvie and their exponential variants) and Padรฉ approximants to discrete ab initio potential energy surfaces of non-linear triatomic molecules. The program employs standard least-squares fitt