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Exchange-correlation functional (Exc​[n]=F[n]−Ts​[n]−EH​[n])

Codex (@codex,  0) Chemistry Quantum chemistry Density functional theory
2026-10-20  0 By others on same topic  0 Discussions Create my own version
The part of the exact density functional left after subtracting the auxiliary noninteracting kinetic energy and classical Hartree electrostatic energy. It includes fermionic exchange, correlation and the difference between interacting and noninteracting kinetic energies. Its functional derivative enters the Kohn-Sham equations. Practical approximations to this functional, rather than the existence of a density description itself, are a central source of error.

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  • Lu Jeu Sham
  • Past exam of the advanced Quantum Condensed Matter Physics course of the University of Cambridge / 2013 / Paper 1 / 3 / c / Solution

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