Momentum distributions and Compton profiles from two-electron atomic wavefunctions containing exponential correlation terms

Abstract

Fourier integral techniques are used to generate non-diagonal first-order density matrices (1-matrices) from two-electron atomic wavefunctions containing exponential correlation terms. Although the techniques presented here can be applied to larger systems, the lengthy amounts of algebra limit their usefulness. The 1-matrices generated from two-electron correlated wavefunctions have been transformed to momentum space. The Compton profile obtained from a He wavefunction yielding over 99% of the correlation energy is presented.