Published March 1, 1968
| Published
Journal Article
Open
Numerical Solution of the S‐Limit Schrödinger Equation
- Creators
- Winter, N. W.
- Diestler, Dennis
- McKoy, Vincent
Chicago
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Abstract
Numerical solutions to the S‐limit Schrödinger equation have been obtained for He and Li^+. Using these the energy and the expectation values 〈Σr_i〉 and 〈Σr_(i^2)〉 were calculated and compared to the radial configuration interaction values. The results demonstrate that the direct numerical solution of many partial differential equations in chemical physics can be accomplished in a practical and straightforward manner.
Additional Information
© 1968 American Institute of Physics. Received 8 November 1967. We are grateful to Dr. William A. Goddard for helpful discussions. One of us (D.D.) wishes to thank the National Science Foundation for a pre-doctoral fellowship.Attached Files
Published - WINjcp68a.pdf
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WINjcp68a.pdf
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Additional details
- Eprint ID
- 33651
- Resolver ID
- CaltechAUTHORS:20120829-105505237
- NSF
- Created
-
2012-08-29Created from EPrint's datestamp field
- Updated
-
2021-11-09Created from EPrint's last_modified field
- Other Numbering System Name
- Caltech Gates and Crellin Laboratories of Chemistry
- Other Numbering System Identifier
- 3608