QUANTUM REACTIVE SCATTERING CALCULATIONS OF FRANCK-CONDON FACTORS FOR THE PHOTODETACHMENT OF H2F- AND D2F- AND COMPARISONS WITH EXPERIMENT

被引：30

作者：

ZHANG, JZH

MILLER, WH

WEAVER, A

NEUMARK, DM

机构：

[1] UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA

[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 182卷 / 3-4期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(91)80216-K

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：

The nuclear Franck-Condon factor for the photodetachment processes H(D)2F- + hv --> H(D)2 + F + e-, H(D)F + H(D) + e- for J = 0 has been calculated using the S-matrix Kohn variational method for reactive scattering on the T5a potential energy surface. The positions of peaks in the spectra of our theoretical calculations are in excellent agreement with those found in the recent experiment of Weaver and Neumark. The width of the main peak in the spectrum of H2F- matches perfectly with the experimental one, but the width of the main peak for the D2F- is narrower than the experiment.

引用

页码：283 / 289

页数：7

共 35 条

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