Theoretical Study of the Rovibrational Spectra of Argon Trimer

Abstract

The Ar₃ system has been studied by means of an exact quantum mechanical variational method based in the use of distributed Gaussian functions to describe the interparticle Ar-Ar distances. This work includes the rovibrational levels spectra for the zero total angular momentum, J=0, case and for J=1. In order to describe the rotational part, we have used an approximate method in which the eigenfunctions obtained in the purely vibrational problem are employed in the solution of the J > 0 case. Besides the energy levels, rotational constants have been calculated. Different approaches for the calculation of such constants are comparatively analysed.