THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

byCamelia Muñoz-Caro and Alfonso Niño, E. U. Informática de Ciudad Real, Universidad de Castilla-La Mancha, Ronda de Calatrava 5, 13071 Ciudad Real, España

NIVELON is a program for the computation of energy levels and populations for any kind of anharmonic vibration. Several coupled vibrations can be handled simultaneously with the kinetic and potential terms expanded in Fourier or Taylor series. Within a variational framework [1], free rotor and harmonic oscillator eigenfunctions can be used in the basis set. The program permits one to introduce Gaussian perturbations in the potential function and to compute the quantum mechanical average of a magnitude in different vibrational states. The non-rigid group theory can be used for the factorization of the Hamiltonian and the classification of vibrational states. NIVELON is written in standard FORTRAN 77 and tested under the UNIX operating system.

[1] C. Muñoz Caro, A. Niño and D. C. Moule, Chem. Phys., l86, 221-231 (1994).

Lines of Code: 1826 FORTRAN 77