Exploring molecular vibrational motions with periodic orbits

被引:61
作者
Farantos, SC [1 ]
机构
[1] UNIV CRETE, DEPT CHEM, IRAKLION 71110, GREECE
关键词
D O I
10.1080/01442359609353188
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 theory of periodic orbits for conservative Hamiltonian systems and the way that it is applied to analyse vibrational spectra of highly excited polyatomic molecules is reviewed. Applications for triatomic, tetratomic molecules and van der Waals clusters are presented. It is shown that the periodic orbit method can trace localized eigenfunctions above potential barriers which are associated with saddle-node bifurcations. Such states connect separate minima on the potential energy surface, and thus, are important for studying isomerization processes.
引用
收藏
页码:345 / 374
页数:30
相关论文
共 151 条
[51]   THE PHOTODISSOCIATION OF O-3 - A CLASSICAL DYNAMIC APPROACH FOR THE INTERPRETATION OF THE RECURRENCES IN THE AUTOCORRELATION FUNCTION [J].
FARANTOS, SC ;
TAYLOR, HS .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (07) :4887-4895
[52]   THE EXTRACTION OF DYNAMICS AND THE CLASSICAL MECHANICAL SIMULATION OF LOW RESOLUTION REGULAR AND CHAOTIC SPECTRA - HCN/HNC [J].
FARANTOS, SC ;
LLORENTE, JMG ;
HAHN, O ;
TAYLOR, HS .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (01) :76-86
[53]   ON THE TRANSITION FROM QUASI-PERIODIC TO STOCHASTIC CLASSICAL MOTION ON REAL POLYATOMIC POTENTIAL-ENERGY SURFACES [J].
FARANTOS, SC ;
MURRELL, JN .
CHEMICAL PHYSICS, 1981, 55 (02) :205-214
[54]   THE IMPORTANCE OF PERIODIC-ORBITS IN ANALYZING PHOTODISSOCIATION RESONANCES - THE O3 CASE [J].
FARANTOS, SC .
CHEMICAL PHYSICS, 1992, 159 (03) :329-338
[55]   STUDY OF MOLECULAR-PHASE SPACE STRUCTURE THROUGH FAMILIES OF PERIODIC-ORBITS [J].
FARANTOS, SC ;
FOUNARGIOTAKIS, M ;
POLYMILIS, C .
CHEMICAL PHYSICS, 1989, 135 (03) :347-356
[56]   WAVE PACKET DYNAMICS AND PHASE-SPACE STRUCTURE OF HCN MOLECULE [J].
FARANTOS, SC ;
FOUNARGIOTAKIS, M .
CHEMICAL PHYSICS, 1990, 142 (03) :345-359
[57]   TESTING MOLECULAR-POTENTIAL FUNCTIONS WITH BIFURCATION DIAGRAMS OF PERIODIC-ORBITS [J].
FARANTOS, SC ;
ZACHILAS, L .
MOLECULAR PHYSICS, 1993, 80 (06) :1499-1505
[58]  
FARANTOS SC, 1992, NATO ADV SCI INST SE, V298, P301
[59]   WATER CLUSTERS - THE (H2O)64 CASE [J].
FARANTOS, SC .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1994, 31 (03) :213-217
[60]  
FARANTOS SC, 1995, IN PRESS J MOL STRUC