Fast computation of the Kohn-Sham susceptibility of large systems

For hybrid systems, such as molecules grafted onto solid surfaces, the calculation of linear response in time dependent density functional theory is slowed down by the need to calculate, in N^4 operations, the susceptibility of N non interacting Kohn-Sham reference electrons. We show how this susceptibility can be calculated N times faster within finite precision. By itself or in combination with previous methods, this should facilitate the calculation of TDDFT response and optical spectra of hybrid systems.Comment: submitted 25/1/200

Self-consistent Green function approach for calculations of electronic structure in transition metals

We present an approach for self-consistent calculations of the many-body Green function in transition metals. The distinguishing feature of our approach is the use of the one-site approximation and the self-consistent quasiparticle wave function basis set, obtained from the solution of the Schrodinger equation with a nonlocal potential. We analyze several sets of skeleton diagrams as generating functionals for the Green function self-energy, including GW and fluctuating exchange sets. Their relative contribution to the electronic structure in 3d-metals was identified. Calculations for Fe and Ni revealed stronger energy dependence of the effective interaction and self-energy of the d-electrons near the Fermi level compared to s and p electron states. Reasonable agreement with experimental results is obtained

Integrable multiparametric quantum spin chains

Using Reshetikhin's construction for multiparametric quantum algebras we obtain the associated multiparametric quantum spin chains. We show that under certain restrictions these models can be mapped to quantum spin chains with twisted boundary conditions. We illustrate how this general formalism applies to construct multiparametric versions of the supersymmetric t-J and U models.Comment: 17 pages, RevTe

Magnetic Susceptibility of an integrable anisotropic spin ladder system

We investigate the thermodynamics of a spin ladder model which possesses a free parameter besides the rung and leg couplings. The model is exactly solved by the Bethe Ansatz and exhibits a phase transition between a gapped and a gapless spin excitation spectrum. The magnetic susceptibility is obtained numerically and its dependence on the anisotropy parameter is determined. A connection with the compounds KCuCl3, Cu2(C5H12N2)2Cl4 and (C5H12N)2CuBr4 in the strong coupling regime is made and our results for the magnetic susceptibility fit the experimental data remarkably well.Comment: 12 pages, 12 figures included, submitted to Phys. Rev.

Evidence for multiband superconductivity in the heavy fermion compound UNi2Al3

Epitaxial thin films of the heavy fermion superconductor UNi2Al3 with Tc{max}=0.98K were investigated. The transition temperature Tc depends on the current direction which can be related to superconducting gaps opening at different temperatures. Also the influence of the magnetic ordering at TN=5K on R(T) is strongly anisotropic indicating different coupling between the magnetic moments and itinerant charge carriers on the multi-sheeted Fermi surface. The upper critical field Hc2(T) suggests an unconventional spin-singlet superconducting state.Comment: 4 pages, 6 figures revised version: inset of fig. 2 changed, fig. 3 added accepted for pub. in Phys. Rev. Lett. (estimated 9/04

Local Communication Protocols for Learning Complex Swarm Behaviors with Deep Reinforcement Learning

Swarm systems constitute a challenging problem for reinforcement learning (RL) as the algorithm needs to learn decentralized control policies that can cope with limited local sensing and communication abilities of the agents. While it is often difficult to directly define the behavior of the agents, simple communication protocols can be defined more easily using prior knowledge about the given task. In this paper, we propose a number of simple communication protocols that can be exploited by deep reinforcement learning to find decentralized control policies in a multi-robot swarm environment. The protocols are based on histograms that encode the local neighborhood relations of the agents and can also transmit task-specific information, such as the shortest distance and direction to a desired target. In our framework, we use an adaptation of Trust Region Policy Optimization to learn complex collaborative tasks, such as formation building and building a communication link. We evaluate our findings in a simulated 2D-physics environment, and compare the implications of different communication protocols.Comment: 13 pages, 4 figures, version 2, accepted at ANTS 201

The su(N) XX model

The natural su(N) generalization of the XX model is introduced and analyzed. It is defined in terms of the characterizing properties of the usual XX model: the existence of two infinite sequences of mutually commuting conservation laws and the existence of two infinite sequences of mastersymmetries. The integrability of these models, which cannot be obtained in a degenerate limit of the su(N)-XXZ model, is established in two ways: by exhibiting their R matrix and from a direct construction of the commuting conservation laws. We then diagonalize the conserved laws by the method of the algebraic Bethe Ansatz. The resulting spectrum is trivial in a certain sense; this provides another indication that the su(N) XX model is the natural generalization of the su(2) model. The application of these models to the construction of an integrable ladder, that is, an su(N) version of the Hubbard model, is mentioned.Comment: 16 pages, TeX and harvmac (option b). Minor corrections, accepted for publication in Nuclear Physics