COARSE-GRAINED SPECTRA, DYNAMICS AND QUANTUM PHASE-SPACE STRUCTURES OF H-3+

被引：19

作者：

DEPOLAVIEJA, GG ^{[1
]}

FULTON, NG ^{[1
]}

TENNYSON, J ^{[1
]}

机构：

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

来源：

MOLECULAR PHYSICS | 1994年 / 83卷 / 02期

关键词：

D O I：

10.1080/00268979400101321

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：

A fully quantum-based assignment system is presented and applied to 3D H3+ vibrational calculations. By analysing eigenstates in phase space using the Husimi function, dynamical information is used to find hidden localizations in groups of eigenfunctions. Localization onto several types of periodic orbit is described, including the excited horseshoe motion which has been suggested as an explanation of the features in the H3+ photodissociation spectrum of Carrington, A., and Kennedy, R. A., 1984, J. chem. Phys., 81, 91. However, other localizations are found at the dissociation energy which should not be ignored in the explanation of the Carrington-Kennedy spectrum.

引用

页码：361 / 379

页数：19

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