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Obara-Saika recursion relations

The remaining overlap matrix elements follow from the Obara-Saika recursion relations [50], Thus,... [Pg.133]

The success of Cartesian Gaussian functions in quantum chemistry is based on efficient algorithms for the calculation of analytic integrals. For a review of the many different schemes that have been proposed, see [14]. We follow the simple scheme of Obara and Saika [30] that relies on recursion relations starting from basic integrals over s type functions. To derive the recursion relations we need two basic identities. First, the shift of angular momentum is achieved by... [Pg.298]

The Obara-Saika [50] recursion relations for the three-center overlap matrix elements can be used to derive the recursion relations for the ion-wall source interaction. Specific formulae will be listed below after we consider the interaction with the soft Gaussian part of the charge distribution. [Pg.91]


See other pages where Obara-Saika recursion relations is mentioned: [Pg.99]    [Pg.100]    [Pg.133]    [Pg.11]    [Pg.12]    [Pg.1347]    [Pg.346]    [Pg.231]   
See also in sourсe #XX -- [ Pg.91 , Pg.133 ]




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