Subject: Program for solving 1d nuclear motion schroedinger equation

From: [email-masked]
Date: Mon, 08 Jun 98 10:08:05 +0200

Dear CCLers,

I am searching for a program, which solves the one-dimensional Schroedinger
equation for the nuclear motion, after fitting (polynomial) the potential 
curve to some calculated energy points. The program should yield the energies 
of
the vibrational levels and the expectation values for the internuclear
distance.

I need the program for educational purposes in a quantum chemistry
course. (HCl rotation-vibration spectrum)

The program should run under WIN NT, preferably.

Thanks in advance

Uwe Lommatzsch

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Johann Wolfgang Goethe Universitaet Frankfurt

Inst. fuer Physikalische und Theoretische Chemie

Marie-Curie-Str. 11
60439 Frankfurt / Main
Germany

Phone: &49 (69) 798- 29425
Fax: &49 (69)  798- 29560
WWW: http://www.rz.uni-frankfurt.de/~lommatz

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