THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Alfonso Nino and Camelia Munoz-Caro, E. U. Informatica de Ciudad Real, Universidad de Castilla-La Manca, Ronda de Calatrava s/n, 13071 Ciudad Real, Spain

ROVI is a software tool designed to obtain the fine vibrational structure of electronic spectra for large amplitude vibrations. The program permits the user to obtain the energy levels for the transitions and the intensities. ROVI generates two files for plotting the spectrum where the transitions are represented by vertical lines or Lorentzian shapes. Potential energy functions, kinetic constants and transitions dipole moments can be input as a function of the vibrational coordinates. The non-rigid group theory can be used for factorizing the Hamiltonian matrix and classifying the energy levels. The user must supply the basis functions for the calculations. ROVI has been written in standard FORTRAN 77 and has been tested under the UNIX operating system.

Lines of Code: 1748 FORTRAN 77