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—A new approach to the modeling of wireless propagation in buildings is introduced. We treat the scattering by walls and local clutter probabilistically through either a relaxation-time approximation in a Boltzmann equation or by using a diffusion equation. The result is a range of models in which one can vary the tradeoff between the complexity of the(More)
We study interaction-induced localization of electrons in an inhomogeneous quasi-one-dimensional system—a wire with two regions, one at low density and the other high. Quantum Monte Carlo techniques are used to treat the strong Coulomb interactions in the low-density region, where localization of electrons occurs. The nature of the transition from high to(More)
Quantum interference in coherent transport through single molecular rings may provide a mechanism to control the current in molecular electronics. We investigate its applicability, using a single-particle Green function method combined with ab initio electronic structure calculations. We find that the quantum interference effect (QIE) is strongly dependent(More)
We investigate electron transport through single conjugated molecules--including benzenedithiol, oligophenylene ethynylenes of different lengths, and a ferrocene-containing molecule sandwiched between two gold electrodes with different contact structures--by using a single-particle Green function method combined with density functional theory calculation.(More)
The effect of the exchange-correlation potential in ab initio electron transport calculations is investigated by constructing optimized effective potentials using different energy functionals or the electron density from second-order perturbation theory. The authors calculate electron transmission through two atomic chain systems, one with charge transfer(More)
Here we describe the design, single-molecule transport measurements, and theoretical modeling of a ferrocene-based organometallic molecular wire, whose bias-dependent conductance shows a clear Lorentzian form with magnitude exceeding 70% of the conductance quantum G 0. We attribute this unprecedented level of single-molecule conductance to a manifestation(More)
We analyze the problem of a quantum computer in a correlated environment protected from decoherence by quantum error correction using a perturbative renormalization group approach. The scaling equation obtained reflects the competition between the dimension of the computer and the scaling dimension of the correlations. For an irrelevant flow, the error(More)
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory combined with a Green function method for electron transport. For a general view, we study several systems: ͑1͒ atomic(More)
We study the decoherence of a quantum computer in an environment which is inherently correlated in time and space. We first derive the nonunitary time evolution of the computer and environment in the presence of a stabilizer error correction code, providing a general way to quantify decoherence for a quantum computer. The general theory is then applied to(More)
We study the rectification of current through a single molecule with an intrinsic spatial asymmetry. The molecule contains a cobaltocene moiety in order to take advantage of its relatively localized and high-energy d states. A rectifier with large voltage range, high current, and low threshold can be realized. The evolution of molecular orbitals under both(More)