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Potential energy surface for linear triatomic molecules: An algebraic method

โœ 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

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๐Ÿ“œ SIMILAR VOLUMES


Potential energy surfaces for stable tri
โœ I. Benjamin; R.D. Levine ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 631 KB

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 fitting program for potential energy s
โœ D.J. Searles; E.I. von Nagy-Felsobuki ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 534 KB

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