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density functional theory · Vinony

EntityQ1048589· pop 31· linked from 522 articles

density functional theory

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computational quantum mechanical modelling method to investigate the electronic structure

Connections

condensed matter physics

quantum chemistry

molecular orbital

Hartree–Fock method

exchange interaction of particles

local-density approximation

Electronic correlation

quantum mechanics

Categories

Density functional theory Electronic structure methods

Sources

wikipedia.externallinksexternallink

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What links here522 pages

Quantum ESPRESSO

Interatomic potential

electronic band structure

local-density approximation

Jahn–Teller effect

time-dependent density functional theory

functional derivative

Pierre Hohenberg

Nicholas C. Handy

molecular orbital theory

Electric field gradient

nearly free electron model

molecular dynamics simulation

GW approximation