Title — Solution of bound state single variable eigenproblems by the extended renormalized Numerov method

Published: 1 January 1988| Version 1 | DOI: 10.17632/ft5syysnmf.1
K. Davie, R. Wallace


Abstract A Microsoft FORTRAN-77 program is presented which solves second order differential equations of the form [A(x) d^2dx^2+ B(x) d dx]ψ(x) = [V(x) - E]ψ(x) for a variety of boundary conditions. The user specifies A(x), B(x) and V(x) beforehand and choses the appropriate boundary conditions from a menu. Title of program: NUMROV Catalogue Id: ABDW_v1_0 Nature of problem Analysis of models of large amplitude molecular vibration leads to a set of single variable bound state second order differential eigenvalue problems of quite varied form and satisfying a variety of boundary conditions. These equations cannot in general be solved analytically. Versions of this program held in the CPC repository in Mendeley Data ABDW_v1_0; NUMROV; 10.1016/0010-4655(88)90073-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics