We study the real-time dynamics of a hole and doubly occupied site pair, namely, a holon and a doublon, in a 1D Hubbard insulator with on-site and nearest-neighbor Coulomb repulsion. Our analysis shows that the pair is long-lived and the expected decay mechanism to underlying spin excitations is actually inefficient. For a nonzero intersite Coulomb repulsion, we observe that part of the wave fu...

Within time-dependent density functional theory, combined with the Korringa-Kohn-Rostoker Green functions, we devise a real space method to investigate spin dynamics. Our scheme enables one to deduce the Coulomb potential which assures a proper Goldstone mode is present. We illustrate with application to 3d adatoms and dimers on Cu(100).

We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO(3), we demonstrate that ferroelectric displacements are sustained up to the critical concentration of 0.11 electron per unit cell volume. This result is consistent with experimental observations and re...

We formulate the boundary conditions near the atomic nucleus for solving the Pauli equation, based on the analytic solution of the Dirac equation for a Coulomb potential. We then integrate the Pauli equation using an effective potential that is adjusted to reproduce Dirac R-matrix scattering phase shifts, and find the (3)P(o)(1) resonance contribution to the photodetachment cross section of Cs-...

Stochastic formation of a bi-polar state in three dimensional arrays of polar molecules with full Coulomb interactions is reproduced by Monte Carlo simulation. The size of the system is comparable to that of a real crystal seed. The spatial decay of the average order parameter is significantly slowed down by the long range interactions and the exact representation of correlation effects in term...

The gas of magnetic monopoles in spin ice is governed by one key parameter: the monopole chemical potential. A significant variation of this parameter could access hitherto undiscovered magnetic phenomena arising from monopole correlations, as observed in the analogous electrical Coulomb gas, like monopole dimerization, critical phase separation, or charge ordering. However, all known spin ices...

We present improved Coulomb correction formulae for Bose-Einstein correlations including also exchange term and use them to calculate appropriate correction factors for several source functions. It is found that Coulomb correction to the exchange function in the Bose-Einstein correlations cannot be neglected. SULDP-1995-3 TU477 SINS-1995-