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Manuscript Title: Solution of bound state single variable eigenproblems by the extended
renormalized Numerov method. | ||

Authors: K. Davie, R. Wallace | ||

Program title: NUMROV | ||

Catalogue identifier: ABDW_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 51(1988)217 | ||

Programming language: Fortran. | ||

Computer: IBM PC/AT. | ||

Operating system: DOS 3.0 OR HIGHER. | ||

Keywords: Molecular, Vibration, Renormalized numerov, Differential eigenvalue Equation. | ||

Classification: 16.3. | ||

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. | ||

Solution method:The renormalized Numerov method has been employed to solve a restricted class of eigenvalue equations. An extension has been implemented which applies to a wider class of equations and to a greater variety of boundary conditions. | ||

Restrictions:Zero-value or zero-gradient boundary conditions are considered, the one exception to this being for Legendre type equations for which a Frobenius expansion at one or more bounds is employed. | ||

Running time:Per eigenvalue/eigenfunction : 14 sec at 500 points, 26 sec at 1000 points. |

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