✦ LIBER ✦

Program for calculating molecular integrals in grouped Cartesian Gaussian functions

✍ Scribed by V. I. Pupyshev; V. Ya. Simkin

Publisher: SP MAIK Nauka/Interperiodica
Year: 1979
Tongue: English
Weight: 143 KB
Volume: 20
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00745523

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📜 SIMILAR VOLUMES

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## Abstract We consider the tree search problem for the recurrence relation that appears in the evaluation of molecular integrals over Cartesian Gaussian basis functions. A systematic way of performing tree search is shown. By applying the result of tree searching to the LRL2 method of Lindh, Ryu,

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Gaussian basis functions for use in mole

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Calculation of the auxiliary functions Cαβγδɛ(ρa.ρb) met with in calculation of two-center molecular integrals for arbitrary α

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