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A new approach to the construction of first-principles pseudopotentials is described. The method allows transferability to be improved systematically while holding the cutoff radius fixed, even for large cutoff radii. No...

A density-functional formalism comparable to the Hohenberg-Kohn-Sham theory of the ground state is developed for arbitrary time-dependent systems. It is proven that the single-particle potential $v(\stackrel{\ensuremath{...

A general type of fluctuation-dissipation theorem is discussed to show that the physical quantities such as complex susceptibility of magnetic or electric polarization and complex conductivity for electric conduction are...

We use high-resolution N-body simulations to study the equilibrium density profiles of dark matter halos in hierarchically clustering universes. We find that all such profiles have the same shape, independent of halo mas...

We describe an object detection system based on mixtures of multiscale deformable part models. Our system is able to represent highly variable object classes and achieves state-of-the-art results in the PASCAL object det...

All our former experience with application of quantum theory seems to say that what is predicted by quantum formalism must occur in the laboratory. But the essence of quantum formalism---entanglement, recognized by Einst...

We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a continuum description of the solvent. The model is called SMD, where the "D" stands for "d...