Connection between the SU(3) algebraic model and configuration space for bending modes of linear molecules: Application to acetylene

Renato, Lemus

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https://hdl.handle.net/2142/97133 Copy

Description

Title

Connection between the SU(3) algebraic model and configuration space for bending modes of linear molecules: Application to acetylene

Author(s)

Renato, Lemus

Contributor(s)

María del Mar, Estezez-Fregozo

Issue Date

2017-06-20

Keyword(s)

• Large amplitude motions
• Internal rotation

Date of Ingest

• 2017-07-27T20:15:49Z
• 2018-01-29T23:02:18Z

Abstract

An approach to connect the $su(3)$ dynamical group- used to describe the bending modes of linear molecules- with configuration space is discussed. _x000d_ The $SU(3)$ group may be seen as a consequence of adding a scalar boson to the $SU(2)$ space of two degenerate harmonic oscillators. The resulting $SU(3)$ group becomes the dynamical group for the bending degrees of freedom of linear molecules, but the connection to configuration space is not obvious. This work aims at providing this connection. Our approach is based on the basis of establishing a mapping between the algebraic and configuration states. An arbitrary operator in configuration space is then expanded in terms of generators of the dynamical algebra. The coefficients are determined through a minimization procedure and given in terms of matrix elements defined in configuration space. As an application we consider the vibrational description of the bending modes of the acetylene molecule, where the force constants are estimated in the framework of the $U(3) times U(3)$ model.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Genre of Resource

Conference Paper / Presentation

Language

eng

Permalink

http://hdl.handle.net/2142/97133

DOI

https://doi.org/10.15278/isms.2017.TI02

Copyright and License Information

Copyright 2017 Lemus Renato

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