Distribution of zeros of the Husimi function in a realistic Hamiltonian molecular system

被引:24
作者
Arranz, FJ [1 ]
Borondo, F [1 ]
Benito, RM [1 ]
机构
[1] UNIV POLITECN MADRID, ESCUELA TECN SUPER INGN AGRON, DEPT FIS & MECAN, E-28040 MADRID, SPAIN
关键词
D O I
10.1103/PhysRevE.54.2458
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
In this payer we numerically check the validity of a theory on the distribution of zeros of the Husimi function due to Leboeuf and Voros [J. Phys. A 23, 1765 (1990)] for the integrability or chaoticity of a dynamical system in conditions which are not covered in the original proof. Our results for a generic Hamiltonian model for the LiCN molecule indicate also that in this case the conclusions of these authors hold. We have also found that this criterion is related to that proposed by Stratt, Handy and Miller based on the nodal complexity or the wave function [J. Chem, Phys. 71, 9911 (1979)]. Also, for scarred states there is a relation between the positions of the zeros and the fixed points of the Poincare map corresponding to the scarring periodic orbit, which is the main result of the paper.
引用
收藏
页码:2458 / 2464
页数:7
相关论文
共 61 条
[1]   QUANTUM AND CLASSICAL DESCRIPTIONS OF POSITION AND PHASE-SPACE DENSITIES OF A MODEL HAMILTONIAN [J].
ANCHELL, JL .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (07) :4342-4349
[2]   POSITION, MOMENTUM, AND PHASE-SPACE ONE-ELECTRON DENSITIES OF H-2, N-2, AND LIH [J].
ANCHELL, JL ;
HARRIMAN, JE .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (11) :6860-6869
[3]  
[Anonymous], 1984, MATH COMPUTATIONAL M
[4]  
[Anonymous], 1990, COMPLEX VARIABLES AP
[5]  
Arnold V. I., 1992, Ordinary Differential Equations
[6]   Transition from order to chaos in molecular wave functions and spectra [J].
Arranz, FJ ;
Borondo, F ;
Benito, RM .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (16) :6401-6404
[7]   THEORETICAL METHODS FOR ROVIBRATIONAL STATES OF FLOPPY MOLECULES [J].
BACIC, Z ;
LIGHT, JC .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1989, 40 :469-498
[8]   COMPARISON OF CLASSICAL AND QUANTUM PHASE-SPACE STRUCTURE OF NONRIGID MOLECULES, LICN [J].
BENITO, RM ;
BORONDO, F ;
KIM, JH ;
SUMPTER, BG ;
EZRA, GS .
CHEMICAL PHYSICS LETTERS, 1989, 161 (01) :60-66
[9]  
BENITO RM, UNPUB
[10]   QUANTUM SCARS OF CLASSICAL CLOSED ORBITS IN PHASE-SPACE [J].
BERRY, MV .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1989, 423 (1864) :219-231