CCL Home Page
http://www.ccl.net/pub/chemistry/html_pages/old/qcpe/QCPE_removed/ent/e03/407.html.shtml
Up Directory CCL 407.html
About CCL
Rules, Instructions, Contributing Material, Supporting, About Us,
Resources
Software Archive, List Archive, Data Archives, Document Archives,
Search CCL
Text Search, RegExp Search,
Announcements
Conferences, Jobs, Resumes,
Links
Topics, Data, Software Sites, Hardware Sites, Institutions, Listsoftsites, Search Engines,
E-mail us
Send E-mail to CCL Administrators,

QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section03


407. Systems for the Numerical Solution of the Radial Schroedinger Equation

by Joseph Eccles and David Malik, School of Chemical Sciences, University of Illionis, Urbana, Illinois 61801

This group of three separate programs numerically solves the equation

for arbitrary V(x).

One of the three programs uses the Numerov-Cooley method to obtain the required eigenvalues and eigenvectors.

The remaining two programs deal with the finite element solutional approach. One program obtains the initial solution, while the second is used to improve the initial solution.

FORTRAN IV (CDC CYBER FTN4) Lines of Code: 2084 Recommended Citation: J. Eccles and D. Malik, QCPE 13, 407 (1981).


Computational Chemistry List --- QCPE Main --- About This Site

[ CCL Home Page ]
[ About CCL ] [ Resources ] [ Search CCL ] [ Announcements ] [ Links ] [ E-mail us ]
[ Raw Version of this page ]

Modified: Fri Nov 20 02:29:37 2009 GMT
Page accessed 10 times since Tue Dec 23 04:05:19 2025 GMT