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The Computation of RKR Potential Energy Curves of Diatomic Molecules Using Mathematica

P. Senn
Journal / Anthology

Computers in Chemistry
Year: 1995
Volume: 19
Issue: 4
Page range: 437-439

A procedure is given for computing classical turning points in the potential energy curves of diatomic molecules according to the well known RKR method using the software package Mathematica.

*Science > Physics > Thermodynamics and Statistical Mechanics