Mean-value identities as an opportunity for Monte Carlo error reduction

In the Monte Carlo simulation of both Lattice field-theories and of models of Statistical Mechanics, identities verified by exact mean-values such as Schwinger-Dyson equations, Guerra relations, Callen identities, etc., provide well known and sensitive tests of thermalization bias as well as checks of pseudo random number generators. We point out that they can be further exploited as "control variates" to reduce statistical errors. The strategy is general, very simple, and almost costless in CPU time. The method is demonstrated in the two dimensional Ising model at criticality, where the CPU gain factor lies between 2 and 4.Comment: 10 pages, 2 tables. References updated and typos correcte

Lattice-Spin Mechanism in Colossal Magnetoresistant Manganites

We present a single-orbital double-exchange model, coupled with cooperative phonons (the so called breathing-modes of the oxygen octahedra in manganites). The model is studied with Monte Carlo simulations. For a finite range of doping and coupling constants, a first-order Metal-Insulator phase transition is found, that coincides with the Paramagnetic-Ferromagnetic phase transition. The insulating state is due to the self-trapping of every carrier within an oxygen octahedron distortion.Comment: 4 pages, 5 figures, ReVTeX macro, accepted for publication in PR

Optimized Monte Carlo Method for glasses

A new Monte Carlo algorithm is introduced for the simulation of supercooled liquids and glass formers, and tested in two model glasses. The algorithm is shown to thermalize well below the Mode Coupling temperature and to outperform other optimized Monte Carlo methods. Using the algorithm, we obtain finite size effects in the specific heat. This effect points to the existence of a large correlation length measurable in equal time correlation functions.Comment: Proceedings of "X International workshop on Disordered Systems" held in Molveno (Italy), March 200

Finite size effects in the specific heat of glass-formers

We report clear finite size effects in the specific heat and in the relaxation times of a model glass former at temperatures considerably smaller than the Mode Coupling transition. A crucial ingredient to reach this result is a new Monte Carlo algorithm which allows us to reduce the relaxation time by two order of magnitudes. These effects signal the existence of a large correlation length in static quantities.Comment: Proceeding of "3rd International Workshop on Complex Systems". Sendai (Japan). To appear on AIP Conference serie

On the critical behavior of the specific heat in glass-formers

We show numeric evidence that, at low enough temperatures, the potential energy density of a glass-forming liquid fluctuates over length scales much larger than the interaction range. We focus on the behavior of translationally invariant quantities. The growing correlation length is unveiled by studying the Finite Size effects. In the thermodynamic limit, the specific heat and the relaxation time diverge as a power law. Both features point towards the existence of a critical point in the metastable supercooled liquid phase.Comment: Version to be published in Phys. Rev.

Density Functional Calculations On First-Row Transition Metals

The excitation energies and ionization potentials of the atoms in the first transition series are notoriously difficult to compute accurately. Errors in calculated excitation energies can range from 1--4 eV at the Hartree-Fock level, and errors as high as 1.5eV are encountered for ionization energies. In the current work we present and discuss the results of a systematic study of the first transition series using a spin-restricted Kohn-Sham density-functional method with the gradient-corrected functionals of Becke and Lee, Yang and Parr. Ionization energies are observed to be in good agreement with experiment, with a mean absolute error of approximately 0.15eV; these results are comparable to the most accurate calculations to date, the Quadratic Configuration Interaction (QCISD(T)) calculations of Raghavachari and Trucks. Excitation energies are calculated with a mean error of approximately 0.5eV, compared with \sim 1\mbox{eV} for the local density approximation and 0.1eV for QCISD(T). These gradient-corrected functionals appear to offer an attractive compromise between accuracy and computational effort.Comment: Journal of Chemical Physics, 29, LA-UR-93-425

On the evidence for brown-dwarf secondary stars in cataclysmic variables

We present the K-band spectrum of the cataclysmic variable LL And, obtained using NIRSPEC on Keck-II. The spectrum shows no evidence for the absorption features observed by Howell & Ciardi (2001), which these authors used to claim a detection of a brown-dwarf secondary star in LL And. In light of our new data, we review the evidence for brown-dwarf secondary stars in this and other cataclysmic variables.Comment: 6 pages, to appear in Monthly Notices, accepte

Measuring correlated electron dynamics with time-resolved photoemission spectroscopy

Time-resolved photoemission experiments can reveal fascinating quantum dynamics of correlated electrons. However, the thermalization of the electronic system is typically so fast that very short probe pulses are necessary to resolve the time evolution of the quantum state, and this leads to poor energy resolution due to the energy-time uncertainty relation. Although the photoemission intensity can be calculated from the nonequilibrium electronic Green functions, the converse procedure is therefore difficult. We analyze a hypothetical time-resolved photoemission experiment on a correlated electronic system, described by the Falicov-Kimball model in dynamical mean-field theory, which relaxes between metallic and insulating phases. We find that the real-time Green function which describes the transient behavior during the buildup of the metallic state cannot be determined directly from the photoemission signal. On the other hand, the characteristic collapse-and-revival oscillations of an excited Mott insulator can be observed as oscillating weight in the center of the Mott gap in the time-dependent photoemission spectrum.Comment: 12 pages, 5 figure

Nonequilibrium dynamical mean-field calculations based on the non-crossing approximation and its generalizations

We solve the impurity problem which arises within nonequilibrium dynamical mean-field theory for the Hubbard model by means of a self-consistent perturbation expansion around the atomic limit. While the lowest order, known as the non-crossing approximation (NCA), is reliable only when the interaction U is much larger than the bandwidth, low-order corrections to the NCA turn out to be sufficient to reproduce numerically exact Monte Carlo results in a wide parameter range that covers the insulating phase and the metal-insulator crossover regime at not too low temperatures. As an application of the perturbative strong-coupling impurity solver we investigate the response of the double occupancy in the Mott insulating phase of the Hubbard model to a dynamical change of the interaction or the hopping, a technique which has been used as a probe of the Mott insulating state in ultracold fermionic gases.Comment: 14 pages, 9 figure

On stability of odd-frequency superconducting state

Odd-frequency pairing mechanism of superconductivity has been investigated for several decades. Nevertheless, its properties, including the thermodynamic stability, have remained unclear. In particular, it has been argued that the odd-frequency state is thermodynamically unstable, has an unphysical (anti-) Meissner effect, and thus can not exist as a homogeneous equilibrium phase. We argue that this conclusion is incorrect because it implicitly relies on the inappropriate assumption that the odd-frequency superconductor can be described by an effective Hamiltonian that breaks the particle conservation symmetry. We demonstrate that the odd-frequency state can be properly described within the functional integral approach using non-local-in-time effective action. Within the saddle point approximation, we find that this phase is thermodynamically stable, exhibits ordinary Meissner effect, and therefore can be realized as an equilibrium homogenous state of matter.Comment: 4 pages, no figure