𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A general polyatomic potential energy surface fitting method

✍ Scribed by Paul G. Jasien; Ron Shepard

Book ID
104582460
Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
921 KB
Volume
34
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Fitting complex potential energy surface
Fitting complex potential energy surfaces to simple model potentials: Application of the simplex-annealing method
✍ RaΓΊl A. Bustos MarΓΊn; Eduardo A. Coronado; Juan C. Ferrero πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 148 KB

## Abstract A stochastic method of optimization, which combines simulated annealing with simplex, is implemented to fit the parameters of a simple model potential. The main characteristic of the method is that it explores the whole space of the parameters of the model potential, and therefore it is

A fitting program for potential energy s
A fitting program for potential energy surfaces of bent triatomic molecules
✍ D.J. Searles; E.I. von Nagy-Felsobuki πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 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 PadΓ© approximants to discrete ab initio potential energy surfaces of non-linear triatomic molecules. The program employs standard least-squares fitt