Isotope effect in dissociative electron attachment to HCN

被引：12

作者：

Chourou, S. T. ^{[1
]}

Orel, A. E. ^{[1
]}

机构：

[1] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA

来源：

PHYSICAL REVIEW A | 2011年 / 83卷 / 03期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevA.83.032709

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We performed nuclear dynamics calculations on HCN and DCN to study the isotope effect in dissociative electron attachment. Our previous calculations at 333 K led to a ratio sigma((CN-/HCN))/sigma((CN-/DCN)) of about 13, which is significantly higher than recent experimental findings. This discrepancy is attributed to the neglect of correlation and polarization effects in the scattering calculation performed. We carried out a relaxed-self-consistent field calculation to determine the variation of the resonance parameters under these effects. We observe a shift in the positions of the shape resonance as well as a narrowing of the autoionization widths resulting in an isotope ratio of 3.2 at T = 333 K; in closer agreement with the measured value.

引用

页数：4

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