Quantum transport, recurrence and localization in H-3(+)

被引：6

作者：

DePolavieja, GG ^{[1
]}

Fulton, NG ^{[1
]}

Tennyson, J ^{[1
]}

机构：

[1] UCL, DEPT PHYS & ASTRON, LONDON WC1E 6BT, ENGLAND

来源：

MOLECULAR PHYSICS | 1996年 / 87卷 / 03期

关键词：

D O I：

10.1080/00268979650027388

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：

An automatic quantum-based method to find and extract the relevant localizations of a dynamical system is presented and applied to three-dimensional H-3(+) vibrational calculations. The method exploits the relationship between expressions in the time domain and the energy domain, extracting from groups of eigenstates the localization information related to short term structures in the dynamics. Several localizations are found and extracted. Special emphasis is placed on bending and dissociating motions.

引用

页码：651 / 667

页数：17

共 24 条

[1]

BERBINGLER M, 1988, J CHEM PHYS, V88, P5143

[2] SPECTROSCOPY AND DYNAMICS OF THE HIGHLY EXCITED NONROTATING 3-DIMENSIONAL H-3+ MOLECULAR ION [J].