List of works - Alex Borgoo

Alternative Kullback-Leibler information entropy for enantiomers

scientific article published on 01 January 2010

Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance

scientific article published on 18 November 2008

Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution.

scientific article published in September 2014

Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals

scientific article published on 01 June 2007

Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potential.

scientific article published on 12 March 2009

Density Scaling of Noninteracting Kinetic Energy Functionals

scientific article published on 4 April 2013

Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling ⬇️

scientific article published on January 21, 2012

Influence of confinement on atomic and molecular reactivity indicators in DFT

scientific article published on 24 January 2008

Information carriers and (reading them through) information theory in quantum chemistry.

scientific article published on 26 November 2010

Information theoretical study of chirality: enantiomers with one and two asymmetric centra.

scientific article published on 30 September 2008

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

scientific article published on 2 August 2017

Molecular Binding in Post-Kohn-Sham Orbital-Free DFT.

scientific article published on 14 November 2014

Negative Electron Affinities from DFT: Influence of Asymptotic Exchange-Correlation Potential and Effective Homogeneity under Density Scaling ⬇️

scientific article published on May 23, 2012

Quantum similarity study of atomic density functions: insights from information theory and the role of relativistic effects

scientific article published on 01 January 2007

Quantum similarity study of atoms: a bridge between hardness and similarity indices