LUCY: A FORTRAN implementation of semiclassical spectral quantization

Published: 1 January 1988| Version 1 | DOI: 10.17632/gbrrd5ckgm.1
Manish A. Mehta, N. De Leon


Abstract The basic formalism of Semiclassical Spectral Quantization (SQ) is reviewed here. Some analytic formulae necessary for its implementation are also presented. All facets of LUCY, a FORTRAN implementation of SQ, are described in detail. Sample input and output streams are given for a model two degree-of-freedom Hamiltonian with non-linear coupling terms. The basic requirements for LUCY along with its advantages and disadvantages are discussed as well. Title of program: LUCY Catalogue Id: ABDO_v1_0 Nature of problem The calculation of several semiclassical energies and eigenfunctions of the bound states of a vibrational Hamiltonian using an arbitrary (non- quantizing) trajectory. Versions of this program held in the CPC repository in Mendeley Data ABDO_v1_0; LUCY; 10.1016/0010-4655(88)90066-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics