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Title: Trajectory analysis of the rotational dynamics of molecules

A method for analysis of the rotational dynamics of molecular systems has been proposed on the basis of the calculation of the set of exact classical vibrational–rotational trajectories. It has been proposed to compose and to numerically solve the complete system of dynamic equations consisting of Hamilton’s equations and generalized Euler equations for an arbitrary system. The computer algebra system can be applied to automatize the process of derivation and subsequent solution of dynamic equations. The variation of the picture of known bifurcation in the rotational dynamics of symmetric triatomic hydride molecules with an increase in vibrational excitation has been studied within the proposed approach. It has been shown that manifestations of bifurcation completely disappear at a quite high level of vibrational excitations.
Authors:
;  [1]
  1. Moscow State University (Russian Federation)
Publication Date:
OSTI Identifier:
22472138
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Experimental and Theoretical Physics; Journal Volume: 121; Journal Issue: 2; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALGEBRA; BIFURCATION; DIFFERENTIAL EQUATIONS; EQUATIONS; EXCITATION; HYDRIDES; MATHEMATICAL SOLUTIONS; MOLECULES; ROTATIONAL STATES; VARIATIONS; VIBRATIONAL STATES