Density functional theory

{
  "id": "MLC-T-CHM-003002",
  "term": "Density functional theory",
  "field": "Chemistry",
  "definition": "A computational quantum mechanical modeling method employed to investigate the electronic structure of multi-electron systems. This approach determines the properties of a system by using functionals, which are functions of another function, to describe the electron density. It is widely used in physics and chemistry to calculate molecular and material properties.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 245 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/density-functional-theory/"
}