Subshell momentum splitting and double-zeta description of many-electron atoms

Abstract

When two subshell electrons are considered simultaneously in many-electron atoms, the average subshell momentum ⟨p⟩nl splits into two different momenta, low momentum ⟨p<⟩nl and high momentum ⟨p>⟩nl, where n and l are the principal and azimuthal quantum numbers. For the 102 atoms He through Lr in their ground states, the momenta ⟨p<⟩nl and ⟨p>⟩nl, as well as the momentum separation ⟨|p1 − p2|⟩nl, are systematically examined at the Hartree–Fock limit level. For a subshell nl, two exponents ζnl<(est) and ζnl>(est) estimated from the low and high momenta have good linear correlations with variationally determined exponents ζnl<(var) and ζnl>(var) used in the double-zeta description of atoms with Slater-type basis functions.