McKoy, Vincent
(1965)
*Closed Form of Infinite Series Used in Some Atomic Integrals Containing r_(12), r_(13), and r_(23).*
Journal of Chemical Physics, 42
(8).
pp. 2959-2961.
ISSN 0021-9606.
doi:10.1063/1.1703269.
https://resolver.caltech.edu/CaltechAUTHORS:20151028-114740805

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## Abstract

In an excellent scheme recently developed for evaluating the integral ∫f_1(r_1)f_2(r_2)f_3(r_3)g_1(r_(12))g_2(r_(23))g_3(r_(13))(dv) met in the calculation of correlated atomic wavefunctions, certain functions required in the computational scheme had to be evaluated by an infinite series expansion. As many as 40 terms may be needed in each of the three required infinite summations to get eight significant figures. We give a closed form expression for such functions avoiding all infinite sums. The new result is very compact and avoids the previous difficulty of numerical stability.

Item Type: | Article | |||||||||
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Alternate Title: | Closed Form of Infinite Series Used in Some Atomic Integrals Containing r12, r13, and r23 | |||||||||

Additional Information: | © 1965 The American Institute of Physics. (Received 4 January 1965) | |||||||||

Other Numbering System: |
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Issue or Number: | 8 | |||||||||

DOI: | 10.1063/1.1703269 | |||||||||

Record Number: | CaltechAUTHORS:20151028-114740805 | |||||||||

Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20151028-114740805 | |||||||||

Official Citation: | Closed Form of Infinite Series Used in Some Atomic Integrals Containing r12, r13, and r23 McKoy, Vincent, The Journal of Chemical Physics, 42, 2959-2961 (1965), DOI:http://dx.doi.org/10.1063/1.1703269 | |||||||||

Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||

ID Code: | 61678 | |||||||||

Collection: | CaltechAUTHORS | |||||||||

Deposited By: | George Porter | |||||||||

Deposited On: | 28 Oct 2015 22:34 | |||||||||

Last Modified: | 10 Nov 2021 22:52 |

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