The Localized Active Space idea, and why it matters now The new method gaining attention builds on a framework known as the Localized Active Space approach, or LAS, which is designed to treat the most ...

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 ...

One of the great successes of 20th-century physics was the quantum mechanical description of solids. This allowed scientists to understand for the first time how and why certain materials conduct ...