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A theorem of Bell, proving that certain predictions of quantum mechanics are inconsistent with the entire family of local hidden-variable theories, is generalized so as to apply to realizable experiments. A proposed exte...

A generalization of the numerical renormalization-group procedure used first by Wilson for the Kondo problem is presented. It is shown that this formulation is optimal in a certain sense. As a demonstration of the effect...

Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in wh...

Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients elimi...

We present a unified scheme that, by combining molecular dynamics and density-functional theory, profoundly extends the range of both concepts. Our approach extends molecular dynamics beyond the usual pair-potential appr...