ANALYSIS OF THE SIEGERT EIGENVALUE PROBLEM FOR AUTO-IONIZING STATES

被引:24
作者
YARIS, R [1 ]
LOVETT, R [1 ]
WINKLER, P [1 ]
机构
[1] UNIV ERLANGEN NURNBERG,LEHRSTUHL THEORET CHEM,D-8520 ERLANGEN,FED REP GER
关键词
D O I
10.1016/0301-0104(79)80103-2
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We show that the divergent integrals which appear in a direct matrix solution to the Siegert problem for autoionizing (or electron scattering) state energies and widths can be cancelled exactly. When this is done the Siegert problem becomes essentially a bound state problem. We also show that the resulting non-hermitian secular equation which requires several non-hermitian diagonalizations in the iterative solution for the complex energy can be exactly reduced by a partitioning technique to a single hermitian diagonalization (for a single open channel) with the subsequent iterative solution of a simple algebraic equation. © 1979.
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页码:29 / 34
页数:6
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