𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A method of using Simpson's rule in the DFT

✍ Scribed by Roddy, D.

Book ID
117905619
Publisher
IEEE
Year
1981
Weight
224 KB
Volume
29
Category
Article
ISSN
0096-3518

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The use of geometric meshes in product i
The use of geometric meshes in product integration Simpson's rules
✍ Roberto Garrappa πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 190 KB

This paper concerns with the use of geometric meshes in product integration Simpson's rules for the numerical evaluation of weakly singular weighted integrals. We provide a criterion for selecting the mesh in order to achieve a desired accuracy with a low amount of computation. Numerical experiments

Calculation of DFT molecular properties
Calculation of DFT molecular properties using the -Integral method
✍ Fernando C. Rangel; Heibbe C.B. de Oliveira; AdΓ£o L.B. Montel; Kleber C. Mundim πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 408 KB

In this paper the accuracy of the q-Integral method is evaluated in several molecular properties of the H 2 system using the Density Functional Theory (DFT). The q-Integral method is an alternative approach to evaluate two-electron integrals where the CPU time is substantially less than usual. For t