Time-dependent density functional theory

{
  "id": "MLC-T-CHM-012067",
  "term": "Time-dependent density functional theory",
  "field": "Chemistry",
  "definition": "A quantum mechanical method used to study the electronic structure and dynamics of systems in time-varying external fields, particularly for calculating excited-state properties. It extends ground-state density functional theory to the time domain, allowing for the investigation of phenomena like light absorption and emission. TD-DFT is widely applied in computational chemistry for predicting UV-Vis spectra and excited-state geometries.",
  "subject": "Organic and Biomolecular Chemistry",
  "references": [
    "PAC, 2007, 79, 293. 'Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)' on page 433 (https://doi.org/10.1351/pac200779030293)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/time-dependent-density-functional-theory/"
}