Experts has a new look! Let us know what you think of the updates.

Provide feedback
Home
Scholarly Works
Information theoretic properties from the quantum...
Journal article

Information theoretic properties from the quantum theory of atoms in molecules

Abstract

Information theoretic atomic properties within the quantum theory of atoms in molecules (QTAIM) are discussed. The fate of the dimensions of the electron density inserted into the logarithm of Shannon’s entropy is examined. It is shown that referencing the atomic missing information function to the corresponding uniform electron gas captures most of the size-dependence and converts the non-transferable atomic missing information into a …

Authors

Matta CF; Sichinga M; Ayers PW

Journal

Chemical Physics Letters, Vol. 514, No. 4-6, pp. 379–383

Publisher

Elsevier

Publication Date

October 2011

DOI

10.1016/j.cplett.2011.08.072

ISSN

0009-2614