Density Functional Theory Lectures

Density functional theory's self-interaction correction falters in transition metals, study finds

Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While essential in modeling systems with many electrons, ...

Kaleido Scope

On Improving Density Functional Theory Predictions for Rare-Earth Materials

INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...

Royal Society of Chemistry

New horizons in density functional theory Faraday Discussion

Join us online in September 2020 for this virtual addition to our Faraday Discussion series. For over 100 years and 300 meetings, Faraday Discussions have been the forefront of physical chemistry.

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Density functional theory's self-interaction correction falters in transition metals, study finds

On Improving Density Functional Theory Predictions for Rare-Earth Materials

New horizons in density functional theory Faraday Discussion

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