Density functional theories which are upper bounds to the Hartree-fock limit in one dimension |
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Authors: | KA Dawson NH March |
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Institution: | Theoretical Chemistry Department, 1 South Parks Road, Oxford OX1 3TG, UK |
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Abstract: | We begin by constructing the Hartree-Fock density matrix for two model systems, polynomial wavefunctions and the equal-density orbitals. The former yields the generalization of a well-known results for the harmonic oscillator whilst the latter permits the derivation of a density functional theory. |
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