Comments on: “Notes on the appropriateness of ‘bred modes’ for generating initial perturbations”
✍ Scribed by ZOLTAN TOTH; ISTVAN SZUNYOGH; EUGENIA KALNAY; GOPAL IYENGAR
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 211 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0280-6495
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📜 SIMILAR VOLUMES
In this paper, we present a normwise perturbation theory for the regular generalized eigenproblem Ax = λBx, when λ is a semi-simple and finite eigenvalue, which departs from the classical analysis with the chordal norm [9]. A backward error and a condition number are derived for a choice of flexible
We present a technique to generate Cartesian Gaussian bases for electronic configuration and cross-section calculations on molecules. The technique is specially useful for pseudopotential work, when the bases cannot be tabulated because they depend on the specific choice of the pseudopotential.