Vibrational spectra of the acetylene-like molecules

by using the potential energy surface of Strey and Mills

 

A. Belafhal1*, A. Nauts2, X. Chapuisat3

1Laboratoire de Physique Nucléaire, Atomique et Moléculaire

Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali,

B. P 20, 24000 El Jadida, Morocco

2 Université Catholique de Louvain, Unité FYAM, Département de Physique,

Chemin du Cyclotron, 2 - Louvain-La-Neuve - Belgium

3 Laboratoire de Chimie Théorique (CNRS URA506) Centre Scientifique d'Orsay, Bât. 490,

Université de Paris-Sud, 91405 - Orsay Cédex – France

* Corresponding author. E-mail: belafhal@gmail.com

Received: 05 February 2012; revised version accepted: 30 March 2012

 

Abstract

     By using the potential energy surface of Strey and Mills and the kinetic energy operator expressed in terms of valence coordinates, rewritten in order to calculate analytically the angular part of the Hamiltonian matrix elements, the low-lying vibrational levels of the acetylene-like molecules are derived variationally.

 

Keywords: Acetylene-like molecules; Valence coordinates; Kinetic energy operator; Potential energy surface of Strey and Mills; Hamiltonian matrix elements.


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