Efficient calculation of resonance positions and widths using doubled Chebyshev autocorrelation functions

被引：16

作者：

Li, GH ^{[1
]}

Guo, H ^{[1
]}

机构：

[1] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 347卷 / 4-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(01)01045-4

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 demonstrate in this work that two recently proposed doubling schemes for computing damped Chebyshev autocorrelation functions provide accurate information about both the positions and widths of resonances. Low-lying resonances of HN2 and DN2 have been studied using the two efficient methods. The numerical effectiveness of the two methods was found to be comparable. In addition, the HN2 and DN2 resonances have been assigned and analyzed in some detail. (C) 2001 Published by Elsevier Science B.V.

引用

收藏

页码：443 / 450

页数：8

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