Vectorizable wave propagation FORTRANcode for calculations of multiphoton dissociation

Published: 1 January 1992| Version 1 | DOI: 10.17632/my425gj679.1
Julian J.-L. Ting, J.M. Yuan, T.-F. Jiang


Abstract A vectorizable FORTRAN code for the ETA10 or other vector machines for numerical calculation of the time-dependent Schrödinger equation is presented. Preliminary results for the multiphoton dissociation of nitrogen oxide are shown. The applied electric field was approximated by a classical sinusoidal wave; both sinusoidal and cosinusoidal wave forms were tested, and the internuclear potential was taken to be a Morse function. Dissociation histories of three types were found. Title of program: ACTCON Catalogue Id: ACHK_v1_0 Nature of problem Time-dependent Schrodinger equation. Versions of this program held in the CPC repository in Mendeley Data ACHK_v1_0; ACTCON; 10.1016/0010-4655(92)90204-C This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics