Calculations of near-threshold cross sections for photodissociation of CH plus using the Lanczos algorithm

被引：13

作者：

Bouakline, F ^{[1
]}

Grozdanov, TP

Andric, L

McCarroll, R

机构：

[1] Univ Paris 06, CNRS, Lab Chim Phys Mat & Rayonnement, UMR 7614, F-75231 Paris 05, France

[2] Inst Phys, YU-11001 Belgrade, Serbia

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 122卷 / 04期

关键词：

D O I：

10.1063/1.1836760

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 combine the Lanczos algorithm with the absorbing-potential method, implemented in a discrete variable representation to calculate the near-threshold photodissociation cross sections of CH+. The method is iterative, based on a continued fraction representation of the Green function and avoids any explicit matrix diagonalization. A very good agreement is found with experiment and close-coupling calculations. (C) 2005 American Institute of Physics.

引用

页数：8