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
Potential energy surfaces for stable triatomic molecules using an algebraic Hamiltonian
โ Scribed by I. Benjamin; R.D. Levine
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 631 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
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.
๐ SIMILAR VOLUMES
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