Uncommon
Density functional theory
Computational quantum mechanical modelling method to investigate electronic structure
Density functional theory
Density functional theory (DFT) is a computational quantum mechanical modeling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals – that is, functions that accept a function as input and output a single real number. In the case of DFT, these are functionals of the spatially dependent electron density. DFT is among the most popular and versatile methods available in condensed-matter physics, computational physics, and computational chemistry. DFT has been very popular for calculations in solid-state physics since the 1970s. However, DFT was not considered sufficiently accurate for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better model the...
Open boosters, collect cards and trade them. Free to play.
Play for free