𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On reduction schemes and the symmetry of a matrix

✍ Scribed by Ren, Gexue ;Cheng, Jiangang ;Jinwu, Xiang ;Lu, Qiuhai


Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
88 KB
Volume
15
Category
Article
ISSN
1069-8299

No coin nor oath required. For personal study only.

✦ Synopsis


In this paper, Lanczos and Arnoldi reduction methods as the special cases of the generalized Hessenberg method are brieΒ―y reviewed. Attention is paid to the eect of symmetry of matrices on the behaviour of the reduction schemes, such as serious numerical breakdown. Based on the summation decomposition of matrices, two structures of the upper Hessenberg form of a general unsymmetric matrix and their relationship are revealed, in terms of which, Arnoldi reduction schemes for unsymmetric matrices can be reformulated in two respective forms. The relationship between the reformulated reduction scheme and the current Lanczos schemes for skew and symmetric matrices are also discussed.


πŸ“œ SIMILAR VOLUMES


Symmetry reduction of the matrix element
✍ Shi-Jun Zhong; Yin-Gui Wang; Qian-Er Zhang πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 674 KB

Local coordinate systems are chosen for each quadruple of atoms relative to a four-center integral, in order to avoid linear combinations of orbitals when symmetry operations perform on an orbital. This choice can utilize the complete molecular symmetry to attain the optimal number of symmetry-uniqu

On the Symmetry of LiCuO2
✍ Rolf A. Berger πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 72 KB
Fukutome symmetry classification of the
✍ B. Weiner; S. B. Trickey πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 178 KB πŸ‘ 1 views

The Kohn᎐Sham KS procedure for variational minimization of the Hohenberg᎐Kohn density functional utilizes a one-particle reduced density matrix of assumed diagonal form, hence depends implicitly on a set of auxiliary states. Originally, the auxiliary state was assumed to be a single determinant with