Comment on 'Path Summation Formulation of the Master Equation'

Comment on 'Path Summation Formulation of the Master Equation

N-body decomposition of bipartite networks

In this paper, we present a method to project co-authorship networks, that accounts in detail for the geometrical structure of scientists collaborations. By restricting the scope to 3-body interactions, we focus on the number of triangles in the system, and show the importance of multi-scientists (more than 2) collaborations in the social network. This motivates the introduction of generalized networks, where basic connections are not binary, but involve arbitrary number of components. We focus on the 3-body case, and study numerically the percolation transition.Comment: 5 pages, submitted to PR

Coupled Cluster Channels in the Homogeneous Electron Gas

We discuss diagrammatic modifications to the coupled cluster doubles (CCD) equations, wherein different groups of terms out of rings, ladders, crossed-rings and mosaics can be removed to form approximations to the coupled cluster method, of interest due to their similarity with various types of random phase approximations. The finite uniform electron gas is benchmarked for 14- and 54-electron systems at the complete basis set limit over a wide density range and performance of different flavours of CCD are determined. These results confirm that rings generally overcorrelate and ladders generally undercorrelate; mosaics-only CCD yields a result surprisingly close to CCD. We use a recently developed numerical analysis [J. J. Shepherd and A. Gr\"uneis, Phys. Rev. Lett. 110, 226401 (2013)] to study the behaviours of these methods in the thermodynamic limit. We determine that the mosaics, on forming the Brueckner Hamltonian, open a gap in the effective one-particle eigenvalues at the Fermi energy. Numerical evidence is presented which shows that methods based on this renormalisation have convergent energies in the thermodynamic limit including mosaic-only CCD, which is just a renormalised MP2. All other methods including only a single channel, namely ladder-only CCD, ring-only CCD and crossed-ring-only CCD, appear to yield divergent energies; incorporation of mosaic terms prevents this from happening.Comment: 9 pages, 4 figures, 1 table. Comments welcome: [email protected]

Microwave Spectroscopy

Contains reports on four research projects

Magnetotransport in the Kondo model with ferromagnetic exchange interaction

We consider the transport properties in an applied magnetic field of the spin S=1/2 Kondo model with ferromagnetic exchange coupling to electronic reservoirs, a description relevant for the strong coupling limit of underscreened spin S=1 Kondo impurities. Because the ferromagnetic Kondo interaction is marginally irrelevant, perturbative methods should prove accurate down to low energies. For the purpose of this study, we use a combination of Majorana diagrammatic theory with Density Matrix Numerical Renormalization Group simulations. In the standard case of antiferromagnetic Kondo exchange, we first show that our technique recovers previously obtained results for the T-matrix and spin relaxation at weak coupling (above the Kondo temperature). Considering then the ferromagnetic case, we demonstrate how the low-energy Kondo anomaly splits for arbitrary small values of the Zeeman energy, in contrast to fully screened Kondo impurities near the strong coupling Fermi liquid fixed point, and in agreement with recent experimental findings for spin S=1 molecular quantum dots.Comment: 14 pages, 13 figures, minor changes in V

Concurrence in Disordered Systems

Quantum systems exist at finite temperatures and are likely to be disordered to some level. Since applications of quantum information often rely on entanglement, we require methods which allow entanglement measures to be calculated in the presence of disorder at non-zero temperatures. We demonstrate how the disorder averaged concurrence can be calculated using thermal many-body perturbation theory. Our technique can also be applied to other entanglement measures. To illustrate, we find the disorder averaged concurrence of an XX spin chain. We find that concurrence can be increased by disorder in some parameter regimes.Comment: 14 pages, 5 figure

Microwave Spectroscopy

Contains reports on five research projects.United States Army Signal Corps (Contract DA36-039-sc-74895

Microwave Spectroscopy

Contains reports on five research projects.Signal Corps Contract DA36-039-sc-7489

Microwave Spectroscopy

Contains reports on five research projects.United States Army Signal Corps (Contract DA36-039-sc-74895

Temperature dependence of the electronic structure of semiconductors and insulators

The renormalization of electronic eigenenergies due to electron-phonon coupling is sizable in many materials with light atoms. This effect, often neglected in ab-initio calculations, can be computed using the perturbation-based Allen-Heine-Cardona theory in the adiabatic or non-adiabatic harmonic approximation. After a short description of the numerous recent progresses in this field, and a brief overview of the theory, we focus on the issue of phonon wavevector sampling convergence, until now poorly understood. Indeed, the renormalization is obtained numerically through a q-point sampling inside the BZ. For q-points close to G, we show that a divergence due to non-zero Born effective charge appears in the electron-phonon matrix elements, leading to a divergence of the integral over the BZ for band extrema. Although it should vanish for non-polar materials, unphysical residual Born effective charges are usually present in ab-initio calculations. Here, we propose a solution that improves the coupled q-point convergence dramatically. For polar materials, the problem is more severe: the divergence of the integral does not disappear in the adiabatic harmonic approximation, but only in the non-adiabatic harmonic approximation. In all cases, we study in detail the convergence behavior of the renormalization as the q-point sampling goes to infinity and the imaginary broadening parameter goes to zero. This allows extrapolation, thus enabling a systematic way to converge the renormalization for both polar and non-polar materials. Finally, the adiabatic and non-adiabatic theory, with corrections for the divergence problem, are applied to the study of five semiconductors and insulators: a-AlN, b-AlN, BN, diamond and silicon. For these five materials, we present the zero-point renormalization, temperature dependence, phonon-induced lifetime broadening and the renormalized electronic bandstructure.Comment: 27 pages and 26 figure