POMULT: A program for computing periodic orbits in hamiltonian systems based on multiple shooting algorithms

Published: 01-02-1998| Version 1 | DOI: 10.17632/nsgvrd55dc.1
Contributor:
Stavros C. Farantos

Description

Abstract POMULT is a FORTRAN code for locating Periodic Orbits and Equilibrium Points in Hamiltonian systems based on 2-point boundary value solvers which use multiple shooting algorithms. The code has mainly been developed for locating periodic orbits in molecular Hamiltonian systems with many degrees of freedom and it utilizes a damped Newton—Raphson method and a secant method. The Graphical User Interface has also been written in the tcl-tk script language for interactively manipulating the input a... Title of program: POMULT Catalogue Id: ADHG_v1_0 Nature of problem Given a multidimensional highly coupled molecular potential energy surface we want to compute families of periodic solutions of Hamilton equations. These families of periodic orbits reveal the structure of the classical phase space by detecting the regions of phase space with regular and chaotic motions. Furthermore, periodic orbits point out possible localization of the quantum wavefunctions, and explain/predict spectroscopic features. Versions of this program held in the CPC repository in Mendeley Data ADHG_v1_0; POMULT; 10.1016/S0010-4655(97)00131-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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