THE COMPUTATION OF RKR POTENTIAL-ENERGY CURVES OF DIATOMIC-MOLECULES USING MATHEMATICA

Authors
SENN P
Citation
P. Senn, THE COMPUTATION OF RKR POTENTIAL-ENERGY CURVES OF DIATOMIC-MOLECULES USING MATHEMATICA, Computers & chemistry, 19(4), 1995, pp. 437-439
Citations number
3
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
19
Issue
4
Year of publication
1995
Pages
437 - 439
Database
ISI
SICI code
0097-8485(1995)19:4<437:TCORPC>2.0.ZU;2-T
Abstract
A procedure is given for computing classical turning points in the pot ential energy curves of diatomic molecules according to the well known RKR method using the software package Mathematica