Reduced local energy as a criterion for the accuracy of Hartreendash;Fock wave functions

摘要

The reduced local energy concept is applied to assess the local accuracy of Hartreendash;Fock wave functions. The method is illustrated by application to all the Clementi and Roettirsquo;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.