This theory replaces the dependence on the external potential, v of r, by a dependence on the density distribution from a straightforward generalization of the Legendre transform from the chemical potential to the number of particles. Considered the successor to the Thomas-Fermi model, this theory grew out of a 1964 paper, which stated that there is a unique relation between the external potential and the ground state electron density and reformulated the variational principle for electron densities. Those results are known as the Hohenberg-Kohn theories.  In this theory, one can use the Kohn-Sham equations to compute the molecular properties using the same algorithms used for Hartree-Fock m
This theory replaces the dependence on the external potential, v of r, by a dependence on the density distribution from a straightforward generalization of the Legendre transform from the chemical potential to the number of particles. Considered the successor to the Thomas-Fermi model, this theory grew out of a 1964 paper, which stated that there is a unique relation between the external potential and the ground state electron density and reformulated the variational principle for electron densities. Those results are known as the Hohenberg-Kohn theories.  In this theory, one can use the Kohn-Sham equations to compute the molecular properties using the same algorithms used for Hartree-Fock methods. For 10 points, name this non-perturbation theory, an ab inito method for determining electron structure.
This theory replaces the dependence on the external potential, v of r, by a dependence on the density distribution from a straightforward generalization of the Legendre transform from the chemical potential to the number of particles.
density {functional} theory [accept {DFT}]