✦ LIBER ✦
A note on Löwdin orthogonalization and the square root of a positive self-adjoint matrix
✍ Scribed by D. F. Scofield
- Publisher
- John Wiley and Sons
- Year
- 1973
- Tongue
- English
- Weight
- 330 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
A quadratically convergent process using a continued fraction method for finding the square root of the overlap matrix used in Löwdin orthogonalization is presented. The continued fraction method is compared to several other methods for finding the square root of a matrix. The method is found to be more efficient than the other methods when high accuracy is desired.