𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Improved analytic potential models for bent AB2 molecules

✍ Scribed by A. Bastida; J. Zúñiga; A. Requena


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
700 KB
Volume
136
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


An analytic semiclassical model for loca
✍ J.T. Muckerman; M.S. Child 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 466 KB

We present a simple, analytic model for the normal and local mode behavior of the stretching vibrations in AB, molecules. Starting with a zeroth-order description ofdegenerate, harmonic normal modes, we introduce a quartic perturbation and employ first-order secular perturbation theory to obtain a

A spline-fitted potential surface for be
✍ Stephen K. Gray; James S. Wright; Xavier Chapuisat 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 294 KB

The rotated-Morse curve cubic spliie method developed previously is extended to bent triatomic molecules by usinS 25 cubic splmes. The Yates-Lester potential for bent Hs is shown to be accurately fitted over the entire raqe of the three internal coordinates, with a standard deviation of less than 1

A fitting program for potential energy s
✍ D.J. Searles; E.I. von Nagy-Felsobuki 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 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 Padé approximants to discrete ab initio potential energy surfaces of non-linear triatomic molecules. The program employs standard least-squares fitt