Winter, N. W. and Diestler, Dennis and McKoy, Vincent (1968) Numerical Solution of the S‐Limit Schrödinger Equation. Journal of Chemical Physics, 48 (5). pp. 1879-1882. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120829-105505237
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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.|
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|Official Citation:||Numerical Solution of the S‐Limit Schrödinger Equation N. W. Winter, Dennis Diestler, and Vincent McKoy J. Chem. Phys. 48, 1879 (1968) http://dx.doi.org/10.1063/1.1668984|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Aucoeur Ngo|
|Deposited On:||29 Aug 2012 20:03|
|Last Modified:||26 Dec 2012 16:04|
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