R. López-Boada

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Applications of the local-scaling transformation version of density functional theory, LS-DFT, to atoms and diatomic molecules are presented. In the case of atoms, explicit kinetic-and exchange-energy functionals for first-and second-row atoms at the Hartree᎐Fock level are constructed. The emphasis given in LS-DFT to the symmetry problem, namely, to the(More)
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