Selfinteraction

Physics

Self-interaction correction in density functional theory is relaxed in transition metals, in the study

Credit: Unsplash/CC0 Public Domain Density-Sensory Theory (DFT) is a fundamental tool in modern physics, chemistry and engineering used to explore the behavior of electrons. It is essential for modeling systems with many electrons, but suffers from a well-known defect called self-interaction errors. Recent research has identified new areas where corrections for this error collapse. The research team will be accompanied…