181 citations · 1.1k across the 44 of their papers we have counts for
44 papers
Comment on "Density and Physical Current Density Functional Theory" by Xiao-Yin Pan and Viraht Sahni, Int. J. Quant. Chem. 110, 2833 (2010)
G. Vignale, C. A. Ullrich, Klaus Capelle
This comment criticizes the above paper by Xiao-Yin Pan and Viraht Sahni. It is shown that their formulation of "Physical Current Density Functional Theory" is, at best, a garbled…
Quantum mechanics in metric space: wave functions and their densities
I. D'Amico, J. P. Coe, V. V. Franca +1
Hilbert space combines the properties of two fundamentally different types of mathematical spaces: vector space and metric space. While the vector-space aspects of Hilbert space, s…
Simple parametrization for the ground-state energy of the infinite Hubbard chain incorporating Mott physics, spin-dependent phenomena and spatial inhomogeneity
Vivian V. França, Daniel Vieira, Klaus Capelle
Simple analytical parametrizations for the ground-state energy of the one-dimensional repulsive Hubbard model are developed. The charge-dependence of the energy is parametrized usi…
Effect of spatial inhomogeneity on the mapping between strongly interacting fermions and weakly interacting spins
Vivian V. França, Klaus Capelle
A combined analytical and numerical study is performed of the mapping between strongly interacting fermions and weakly interacting spins, in the framework of the Hubbard, t-J and H…
Systematic investigation of a family of gradient-dependent functionals for solids
Philipp Haas, Fabien Tran, Peter Blaha +4
Eleven density functionals are compared with regard to their performance for the lattice constants of solids. We consider standard functionals, such as the local-density approximat…
Gradient-dependent density functionals of the PBE type for atoms, molecules and solids
Luana S. Pedroza, Antonio J. R. da Silva, Klaus Capelle
One of the standard generalized-gradient approximations (GGAs) in use in modern electronic-structure theory, PBE, and a recently proposed modification designed specifically for sol…