Minimum cross‐entropy estimation of internally folded densities from Compton profiles

Abstract

ABSTRACT:The internally folded density or reciprocal form factor B(r) of many-electron systems is tightly estimated from the knowledge of a small discrete set of values of the Compton profile J(q). In doing so, the minimum cross-entropy technique is employed. A numerical analysis of the approximations is carried out for the Helium atom.

Fisher information in density functional theory

“…Here, only a couple of recent papers are referred to. [3][4][5][6][7][8][9] The role of Fisher information 10 in quantum mechanics and density functional theory was first emphasized by Sears, Parr and Dinur 11 more than twenty years ago. They found that the quantum mechanical kinetic energy can be considered a measure of the information distribution.…”

Structural properties of reciprocal form factor in neutral atoms and singly charged ions

“…6͒ but also the tight approximations in terms of moments of B(r) and local values of the momentum density 7 or the Compton profile. 8 The aim of this work is to study the structural properties of the reciprocal form factor for some atomic systems. In Sec.…”