Rydberg states of the helium atom

Abstract

AbstractUsing the recently introduced maximum overlap method and Hartree–Fock Perturbation Theory (HFPT), we compute Hartree–Fock (HF) wavefunctions for triplet 1s ns states of the helium atom. Comparison with near‐exact results from Nakatsuji's free ICI method reveals that HF theory provides a simple route to accurate energies of these Rydberg states, especially for large n. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009