Using simple functionals of the electron density to appreciate and quantify molecular
structure and chemical reactivity properties is a recent endeavor in density functional theory …

The Shannon information entropy of 1-normalized electron density in position and
momentum space S r and S p⁠, and the sum ST⁠, respectively, are reported for the ground …

Shannon information entropies in position and momentum spaces and their sum are
calculated as functions of Z (2⩽ Z⩽ 54) in atoms. Roothaan-Hartree-Fock electron wave …

An analytical relationship between the densities of the Shannon entropy and Fisher
information for atomic and molecular systems has been established in this work. Two …

The stability of a two-electron Zee system trapped inside an impenetrable spherical cavity is
analyzed using an explicitly correlated multi-exponent Hylleraas-type basis set in the …

The utility of the Fisher information measure is analyzed to detect the transition state, the
stationary points of a chemical reaction, and the bond breaking/forming regions of …

The Fisher-Shannon plane which embodies the Fisher information measure in conjunction
with the Shannon entropy is tested in its ability to quantify and compare the informational …

On the basis of a density-based quantification of the steric effect [Liu, SBJ Chem. Phys.
2007, 126, 244103], the origin of the internal rotation barrier between the eclipsed and …

Already a few bosons with contact interparticle interactions in small optical lattices feature a
variety of quantum phases: superfluid, Mott-insulator, and fermionized Tonks gases can be …

The Euler equation of the orbital‐free density functional theory is formulated with the specific
Shannon and Fisher information. One of the new forms contains only the specific Shannon …