Low-temperature electrical resistivity in paramagnetic spinel LiV2O4

The 3d electron spinel compound LiV2O4 exhibits heavy fermion behaviour below 30K which is related to antiferromagnetic spin fluctuations strongly enhanced in an extended region of momentum space. This mechanism explains enhanced thermodynamic quantities and nearly critical NMR relaxation in the framework of the selfconsistent renormalization (SCR) theory. Here we show that the low-T Fermi liquid behaviour of the resistivity and a deviation from this behavior for higher T may also be understood within that context. We calculate the temperature dependence of the electrical resistivity \rho(T) assuming that two basic mechanisms of the quasiparticle scattering, resulting from impurities and spin-fluctuations, operate simultaneously at low temperature. The calculation is based on the variational principle in the form of a perturbative series expansion for \rho(T). A peculiar behavior of \rho(T) in LiV2O4 is related to properties of low-energy spin fluctuations whose T-dependence is obtained from SCR theory.Comment: 10 pages, 3 figures, to appear in Phys. Rev.

Electronic states and pairing symmetry in the two-dimensional 16 band d-p model for iron-based superconductor

The electronic states of the FeAs plane in iron-based superconductors are investigated on the basis of the two-dimensional 16-band d-p model, where the tight-binding parameters are determined so as to fit the band structure obtained by the density functional calculation for LaFeAsO. The model includes the Coulomb interaction on a Fe site: the intra- and inter-orbital direct terms U and U', the exchange coupling J and the pair-transfer J'. Within the random phase approximation (RPA), we discuss the pairing symmetry of possible superconducting states including s-wave and d-wave pairing on the U'-J plane.Comment: 2 pages, 4 figures; Proceedings of the Int. Symposium on Fe-Oxipnictide Superconductors (Tokyo, 28-29th June 2008

Adaptive Regret Minimization in Bounded-Memory Games

Online learning algorithms that minimize regret provide strong guarantees in situations that involve repeatedly making decisions in an uncertain environment, e.g. a driver deciding what route to drive to work every day. While regret minimization has been extensively studied in repeated games, we study regret minimization for a richer class of games called bounded memory games. In each round of a two-player bounded memory-m game, both players simultaneously play an action, observe an outcome and receive a reward. The reward may depend on the last m outcomes as well as the actions of the players in the current round. The standard notion of regret for repeated games is no longer suitable because actions and rewards can depend on the history of play. To account for this generality, we introduce the notion of k-adaptive regret, which compares the reward obtained by playing actions prescribed by the algorithm against a hypothetical k-adaptive adversary with the reward obtained by the best expert in hindsight against the same adversary. Roughly, a hypothetical k-adaptive adversary adapts her strategy to the defender's actions exactly as the real adversary would within each window of k rounds. Our definition is parametrized by a set of experts, which can include both fixed and adaptive defender strategies. We investigate the inherent complexity of and design algorithms for adaptive regret minimization in bounded memory games of perfect and imperfect information. We prove a hardness result showing that, with imperfect information, any k-adaptive regret minimizing algorithm (with fixed strategies as experts) must be inefficient unless NP=RP even when playing against an oblivious adversary. In contrast, for bounded memory games of perfect and imperfect information we present approximate 0-adaptive regret minimization algorithms against an oblivious adversary running in time n^{O(1)}.Comment: Full Version. GameSec 2013 (Invited Paper

Basis set effects on the hyperpolarizability of CHCl_3: Gaussian-type orbitals, numerical basis sets and real-space grids

Calculations of the hyperpolarizability are typically much more difficult to converge with basis set size than the linear polarizability. In order to understand these convergence issues and hence obtain accurate ab initio values, we compare calculations of the static hyperpolarizability of the gas-phase chloroform molecule (CHCl_3) using three different kinds of basis sets: Gaussian-type orbitals, numerical basis sets, and real-space grids. Although all of these methods can yield similar results, surprisingly large, diffuse basis sets are needed to achieve convergence to comparable values. These results are interpreted in terms of local polarizability and hyperpolarizability densities. We find that the hyperpolarizability is very sensitive to the molecular structure, and we also assess the significance of vibrational contributions and frequency dispersion

An efficient algorithm for learning with semi-bandit feedback

We consider the problem of online combinatorial optimization under semi-bandit feedback. The goal of the learner is to sequentially select its actions from a combinatorial decision set so as to minimize its cumulative loss. We propose a learning algorithm for this problem based on combining the Follow-the-Perturbed-Leader (FPL) prediction method with a novel loss estimation procedure called Geometric Resampling (GR). Contrary to previous solutions, the resulting algorithm can be efficiently implemented for any decision set where efficient offline combinatorial optimization is possible at all. Assuming that the elements of the decision set can be described with d-dimensional binary vectors with at most m non-zero entries, we show that the expected regret of our algorithm after T rounds is O(m sqrt(dT log d)). As a side result, we also improve the best known regret bounds for FPL in the full information setting to O(m^(3/2) sqrt(T log d)), gaining a factor of sqrt(d/m) over previous bounds for this algorithm.Comment: submitted to ALT 201

Multipole correlations in low-dimensional f-electron systems

By using a density matrix renormalization group method, we investigate the ground-state properties of a one-dimensional three-orbital Hubbard model on the basis of a j-j coupling scheme. For $B_4^0 \ne 0$, where $B_4^0$ is a parameter to control cubic crystalline electric field effect, one orbital is itinerant, while other two are localized. Due to the competition between itinerant and localized natures, we obtain orbital ordering pattern which is sensitive to $B_4^0$, leading to a characteristic change of $\Gamma_{3g}$ quadrupole state into an incommensurate structure. At $B_4^0 = 0$, all the three orbitals are degenerate, but we observe a peak at $q = 0$ in $\Gamma_{3g}$ quadrupole correlation, indicating a ferro-orbital state, and the peak at $q = \pi$ in $\Gamma_{4u}$ dipole correlation, suggesting an antiferromagnetic state. We also discuss the effect of $\Gamma_{4u}$ octupole on magnetic anisotropy.Comment: 4 pages, 3 figures, Proceedings of ASR-WYP-2005 (September 27-29, 2005, Tokai

Application of compressed sensing to the simulation of atomic systems

Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can also be used to speed up numerical simulations. We apply compressed sensing to extract information from the real-time simulation of atomic and molecular systems, including electronic and nuclear dynamics. We find that for the calculation of vibrational and optical spectra the total propagation time, and hence the computational cost, can be reduced by approximately a factor of five.Comment: 7 pages, 5 figure

Effects of degenerate orbitals on the Hubbard model

Stability of a metallic state in the two-orbital Hubbard model at half-filling is investigated. We clarify how spin and orbital fluctuations are enhanced to stabilize the formation of quasi-particles by combining dynamical mean field theory with the quantum Monte Carlo simulations. These analyses shed some light on the reason why the metallic phase is particularly stable when the intra- and inter-band Coulomb interactions are nearly equal.Comment: 3 pages, To appear in JPSJ Vol. 72, No. 5 200

Effective Crystalline Electric Field Potential in a j-j Coupling Scheme

We propose an effective model on the basis of a $j$-$j$ coupling scheme to describe local $f$-electron states for realistic values of Coulomb interaction $U$ and spin-orbit coupling $\lambda$, for future development of microscopic theory of magnetism and superconductivity in $f^n$-electron systems, where $n$ is the number of local $f$ electrons. The effective model is systematically constructed by including the effect of a crystalline electric field (CEF) potential in the perturbation expansion in terms of $1/\lambda$. In this paper, we collect all the terms up to the first order of $1/\lambda$. Solving the effective model, we show the results of the CEF states for each case of $n$=2$\sim$5 with $O_{\rm h}$ symmetry in comparison with those of the Stevens Hamiltonian for the weak CEF. In particular, we carefully discuss the CEF energy levels in an intermediate coupling region with $\lambda/U$ in the order of 0.1 corresponding to actual $f$-electron materials between the $LS$ and $j$-$j$ coupling schemes. Note that the relevant energy scale of $U$ is the Hund's rule interaction. It is found that the CEF energy levels in the intermediate coupling region can be quantitatively reproduced by our modified $j$-$j$ coupling scheme, when we correctly take into account the corrections in the order of $1/\lambda$ in addition to the CEF terms and Coulomb interactions which remain in the limit of $\lambda$=$\infty$. As an application of the modified $j$-$j$ coupling scheme, we discuss the CEF energy levels of filled skutterudites with $T_{\rm h}$ symmetry.Comment: 12 pages, 7 figures. Typeset with jpsj2.cl

Weak-Coupling Theory for Multiband Superconductivity Induced by Jahn-Teller Phonons

Emergence of superconductivity in a two-band system coupled with breathing and Jahn-Teller phonons is discussed in a weak-coupling limit. With the use of a standard quantum mechanical procedure, the phonon-mediated attraction is derived. From the analysis of the model including such attraction, a BCS-like formula for a superconducting transition temperature $T_{\rm c}$ is obtained. When only the breathing phonon is considered, $T_{\rm c}$ is the same as that of the one-band model. On the other hand, when Jahn-Teller phonons are active, $T_{\rm c}$ is significantly enhanced by the interband attraction even within the weak-coupling limit. Relevance of the present result to actual materials such as iron pnictides is briefly commented.Comment: 4 pages, 3 figures