AN ITERATIVE BLOCH APPROACH TO THE RESONANCE STATE PROBLEM

Citation
J. Perie et al., AN ITERATIVE BLOCH APPROACH TO THE RESONANCE STATE PROBLEM, The Journal of chemical physics, 98(8), 1993, pp. 6344-6351
Citations number
35
ISSN journal
00219606
Volume
98
Issue
8
Year of publication
1993
Pages
6344 - 6351
Database
ISI
SICI code
0021-9606(1993)98:8<6344:AIBATT>2.0.ZU;2-O
Abstract
This paper proposes a new Gauss-Seidel Bloch formulation of the degene rate eigenvalue problem. The algorithm is designed to be applicable to large vector spaces; it only requires the presence in core memory of the few vectors which constitute the degenerate subspace. The theory i s applied to the resonance states of the linear van der Waals complexe s I2-X(X =Ar,Ne,He). Partial widths and branching ratios are determine d by analyzing the asymptotic outgoing flux transported by the quasibo und states in the various open channels. The comparison with previous close-coupling results reveals the efficiency of the method for resolv ing the resonance eigenvalue problem.