Calculations of the spectral shifts and line profiles of alkaline earth atoms in liquid helium environment

Abstract

Liquid configurations generated by Metropolis Monte Carlo simulations are used in time-dependent density functional theory calculations of the spectral line shifts and line profiles of the lowest lying excitation of the alkaline earth atoms, Be, Mg, Ca, Sr and Ba embedded in liquid helium. The results are in very good agreement with the available experimental data. Special attention is given to the calculated spectroscopic shift and the associated line broadening. The analysis specifies the inhomogeneous broadening of the three separate contributions due to the splitting of the s -> p transition of the alkaline earth atom in the liquid environment. (C) 2012 Elsevier B. V. All rights reserved.FAPESPDepartment of Science and Technology, Govt. of IndiaDepartment of Science and Technology, Govt. of India [SR/S2/LOP-22/2008]CNPqCAPESINCT-FCxNanoBione