A fast algorithm for calculation of the distance matrix of a molecule
โ Scribed by Malcom Bersohn
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 285 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract In this note, we show how the determinant of the distance matrix __D(G__) of a weighted, directed graph __G__ can be explicitly expressed in terms of the corresponding determinants for the (strong) blocks __G~i~__ of __G__. In particular, when cof __D(G__), the sum of the cofactors of _
This paper presents an algorithm for obtaining the inverse of a tridiagonal matrix numerically. The algorithm does not require diagonal dominance in the matrix and is also computationally efficient.
## Abstract The performances of the algorithms employed in a previously reported program for the calculation of integrals with Slaterโtype orbitals are examined. The integrals are classified in types and the efficiency (in terms of the ratio accuracy/cost) of the algorithm selected for each type is