Search
for

    GlossaryDensity Functional Theory

    computational method to study electronic structure using electron density

    Density Functional Theory (DFT) is a computational quantum mechanical modeling method used to investigate the electronic structure of atoms, molecules, and condensed matter systems. It simplifies the complex many-body problem of interacting electrons by using electron density rather than wave functions, making it a powerful and efficient tool for studying the properties of materials at the atomic level.

    Related Terms

    Sort by

    Experts

    Clinics