We present a real-space method for performing the operations that involve the nonlocal parts of the Kohn-Sham Hamiltonian in a first-principles plane-wave total-energy calculati...
We present self-consistent ab initio total-energy calculations of the equilibrium relaxed structures and surface energies of the stoichiometric (1\ifmmode\times\else\texttimes\f...
We consider the change in polarization \ensuremath{\Delta}P which occurs upon making an adiabatic change in the Kohn-Sham Hamiltonian of the solid. A simple expression for \ensu...
A definition of the electric polarization of an insulating crystalline solid is given in terms of the centers of charge of the Wannier functions of the occupied bands. The chang...
We perform a first-principles investigation of the role of Coulomb interactions in eight AB${\mathrm{O}}_{3}$ cubic perovskite compounds. The predicted spontaneous polarization ...
h-index: Number of publications with at least h citations each.