Dynamic polarizabilities and Rydberg states of silicon, phosphorous, and sulfur

Abstract

Dynamic dipole polarizabilities ${\alpha }_d$(ω) within and beyond the normal dispersion region for the neutral atoms Si, P, and S in their ground and valence excited states have been calculated using the linearized version of time-dependent coupled Hartree-Fock theory. Roothaan formalism has been adopted to treat the open-shell atoms. Excitation energies, oscillator strengths, and quantum defects have been estimated for several optically allowed transitions, and analytic representations of the singly excited Rydberg orbitals have been found. The results are compared with existing theoretical and spectroscopic data.