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A variable‐step algorithm for computing eigenvalues of the radial Schrödinger equation
Author(s) -
Simos T. E.,
Tougelidis G.
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)59:6<477::aid-qua5>3.0.co;2-v
Subject(s) - eigenvalues and eigenvectors , piecewise , variable (mathematics) , perturbation theory (quantum mechanics) , schrödinger equation , mathematics , perturbation (astronomy) , mathematical analysis , algorithm , physics , quantum mechanics
A variable‐step method has been developed for the numerical solution of the eigenvalue Schrödinger equation. The eigenvalues are computed directly as roots of a function known in transmission line theory as the impedance. The novel numerical algorithm is based also on the piecewise perturbation analysis. The new variable‐step method is based on two methods, one with first‐order perturbative corrections and the other with second‐order perturbative corrections. © 1996 John Wiley & Sons, Inc.