An overlap fitted chain of spheres exchange method

The "chain of spheres" (COS) algorithm, as part of the RIJCOSX SCF procedure, approximates the exchange term by performing analytic integration with respect to the coordinates of only one of the two electrons, whereas for the remaining coordinates, integration is carried out numerically. I...

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Bibliographic Details

Published in:	The Journal of chemical physics Vol. 135; no. 14; p. 144105
Main Authors:	Izsák, Róbert, Neese, Frank
Format:	Journal Article
Language:	English
Published:	United States 14.10.2011
Subjects:	Algorithms Butanes - chemistry Electrons Models, Molecular Quantum Theory
ISSN:	1089-7690, 1089-7690
Online Access:	Get more information
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