Spectra of one‐electron atom in a spherical cavity

Abstract

Abstract Rovibronic states and transitions of one‐electron atom in an impenetrable spherical cavity of radius R are studied. Independent estimations for the electronic wave functions and energies of the system are obtained on the basis of different numerical methods, and the follow‐up solution of the nuclear motion problem is performed for cavities of different size ( R from 2–8 a.u.). The corresponding transition probabilities are evaluated within the dipole approximation. A qualitative analysis of the structure of the energy spectrum, the transition frequencies, and intensities is presented. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004