Resume CV of David García-Aldea

  • Research Lines
  • Density Functional Theory

    Kinetic Energy Density Functionals / Kinetic Energy Density

    Orbital-Free Density Functional Theory.

    Momentum Space Density Functional Theory.

    Density Matrices and DFT.

    Information Theory: Quantum Information Theory.

    Thermodynamics, Local Temperature and Entropy in Electronic DFT.

    Complexity Meassures of Density Distributions.

    Exchange Energy Density Functionals / Exchange Energy Density

    Quantum/Theoretical Chemistry

    Ab Initio Calculations for Molecular Systems and Solids.

    Hydrogen Bonds. Cooperativity.

    Boron Clusters and Compounds.

    Electron Delocalization, Resonance and Aromaticity.

    Electron Localization Function ELF.

    AIM/Bader Analysis.

    Information Theory

    Shannon Entropy.

    Fisher Information Function.

    Oniescu Information Energy.

    Complexity Meassures.

    Shell Structure in Atoms and Complexity.