𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Evaluation of the integrals of oscillating functions by interpolation at nodes of gaussian quadratures

✍ Scribed by N.S. Bakhvalov; L.G. Vasil'eva

Publisher
Elsevier Science
Year
1968
Weight
413 KB
Volume
8
Category
Article
ISSN
0041-5553

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Evaluation of Molecular Integrals in a M
Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Rys Quadrature
✍ Petr ČÑrsky; Martin PolΓ‘Ε‘ek πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 English βš– 170 KB

We report on the use of Rys numerical quadrature for the calculation of twoelectron exchange integrals containing two Gaussians and two plane-wave functions, and two-electron integrals containing three Gaussians and one plane-wave function. Generally, the Rys polynomials for this mixed basis set are

Optimal use of the recurrence relations
Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions
✍ Ungsik Ryu; Myeongcheol Kim; Yoon Sup Lee πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 563 KB

## 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,