Harmonic inversion of semiclassical short time signals

被引：20

作者：

Grossmann, F

Mandelshtam, VA

Taylor, HS

Briggs, JS

机构：

[1] Univ Freiburg, Fak Phys, D-79104 Freiburg, Germany

[2] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA

来源：

CHEMICAL PHYSICS LETTERS | 1997年 / 279卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(97)01055-5

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 resonance parameters of the collinear H + H-2 system, calculated recently by the Lorentzian fit of Fourier spectra of the semiclassical time correlation function C(t), are here extracted directly by harmonic inversion of C(t) using the filter-diagonalization technique. The new approach reveals more resonances from a much shorter segment of the same signal C(t). This reduces both the semiclassical error and the overall numerical effort. (C) 1997 Elsevier Science B.V.

引用

收藏

页码：355 / 360

页数：6

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