Symmetry analysis of trimers rovibrational spectra: the case of Ne3

Abstract

Abstract: An approximate method to assign the symmetry to the rovibrational spectrum of homonuclear trimers based on the solution of the rotational Hamiltonian by means of a purely vibrational basis combined with standard rotational functions is applied on Ne. The neon trimer constitutes an ideal test between heavier systems such as Ar for which the method proves to be an extremely useful technique and some other previously investigated cases such as H where some limitations were observed. Comparisons of the calculated rovibrational energy levels are established with results from different calculations reported in the literature. Graphical abstract: [Figure not available: see fulltext.].