Reduced local energy as a criterion for the accuracy of Hartree–Fock wave functions

Abstract

The reduced local energy concept is applied to assess the local accuracy of Hartree–Fock wave functions. The method is illustrated by application to all the Clementi and Roetti’s wave functions for the helium atom and to the first row of the helium isoelectronic series. The use of the reduced local energy as a means for improvement of expectation values is discussed. Application to the five term helium wave functions of Clementi and Clementi and Roetti is considered.