Summary: Time-domain analysis of electronic spectra in superfluid 4
He
J. Eloranta a,*, H.Ye. Seferyan b
, V.A. Apkarian b
a
Department of Chemistry, University of Jyva¨skyla¨, Survontie 9, 40500 Jyva¨skyla¨, Finland
b
Department of Chemistry, University of California, Irvine, CA 92697, USA
Received 7 June 2004; in final form 18 July 2004
Abstract
Electronic absorption spectra of impurities in superfluid helium is developed in time domain, using time-dependent density func-
tional theory to describe liquid 4
He and time-dependent perturbation theory to describe the electronic degrees of freedom of the
impurity. Angularly isotropic potentials are used to describe the molecule­helium interactions in the ground and excited electronic
states. The calculations rationalize experimentally observed phonon side-bands in 4
He droplets and in bulk helium, and allow
assignments of spectral features to specific motions of the liquid.
Ó 2004 Elsevier B.V. All rights reserved.
1. Introduction
Optical absorption spectroscopy of atoms and mole-

Source: Apkarian, V. Ara - Department of Chemistry, University of California, Irvine

Collections: Chemistry