๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Evaluation of the residual vector in global element calculations

โœ Scribed by C. Phillips; J.L. Mohamed; L.M. Delves

Book ID
103792051
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
526 KB
Volume
18
Category
Article
ISSN
0377-0427

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

On the rapid evaluation of cofactors in
On the rapid evaluation of cofactors in the calculation of nonorthogonal matrix elements
โœ Fokke Dijkstra; Joop H. Van Lenthe ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 153 KB

The calculation of matrix elements involving nonorthogonal orbitals is speeded up by recognizing the orthogonalities between orbitals, leading to generalized Slater rules. The block structure present in the overlap matrix makes an efficient evaluation of its cofactors possible. These cofactors are c