✦ LIBER ✦
Efficient linear algebra routines for symmetric matrices stored in packed form
✍ Scribed by Reinhart Ahlrichs; Kakha Tsereteli
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 74 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
Quantum chemistry methods require various linear algebra routines for symmetric matrices, for example, diagonalization or Cholesky decomposition for positive matrices. We present a small set of these basic routines that are efficient and minimize memory requirements. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 306–309, 2002