Search
for

    GlossaryDensity Functional Theory (DFT)

    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

    Learn

    0 / 0 results
    — no results

    Research

    5 / 45 results

    Community Join

    3 / 3 results