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DFT

Density Functional Theory (DFT) is a method of electronic structure calculation in which quantities of interest are approximated by considering only functionals of the electron density, rather than functionals of the many-body electron state.

I estimated the ground-state energy of the molecule using DFT with the local density approximation exchange functional because I didn't give. a. FUCK.

by njeeerrrrd March 29, 2013

59👍 26👎