Band structure of the Jahn-Teller polaron from Quantum Monte Carlo

A path-integral representation is constructed for the Jahn-Teller polaron (JTP). It leads to a perturbation series that can be summed exactly by the diagrammatic Quantum Monte Carlo technique. The ground-state energy, effective mass, spectrum and density of states of the three-dimensional JTP are calculated with no systematic errors. The band structure of JTP interacting with dispersionless phonons, is found to be similar to that of the Holstein polaron. The mass of JTP increases exponentially with the coupling constant. At small phonon frequencies, the spectrum of JTP is flat at large momenta, which leads to a strongly distorted density of states with a massive peak at the top of the band.Comment: 5 pages of REVTeX, 3 figure

Diagrammatic Monte Carlo for Correlated Fermions

We show that Monte Carlo sampling of the Feynman diagrammatic series (DiagMC) can be used for tackling hard fermionic quantum many-body problems in the thermodynamic limit by presenting accurate results for the repulsive Hubbard model in the correlated Fermi liquid regime. Sampling Feynman's diagrammatic series for the single-particle self-energy we can study moderate values of the on-site repulsion ($U/t \sim 4$) and temperatures down to $T/t=1/40$. We compare our results with high temperature series expansion and with single-site and cluster dynamical mean-field theory.Comment: 4 pages, 5 figures, stylistic change

Diagrammatic Quantum Monte Carlo for Two-Body Problem: Exciton

We present a novel method for precise numerical solution of the irreducible two-body problem and apply it to excitons in solids. The approach is based on the Monte Carlo simulation of the two-body Green function specified by Feynman's diagrammatic expansion. Our method does not rely on the specific form of the electron and hole dispersion laws and is valid for any attractive electron-hole potential. We establish limits of validity of the Wannier (large radius) and Frenkel (small radius) approximations, present accurate data for the intermediate radius excitons, and give evidence for the charge transfer nature of the monopolar exciton in mixed valence materials.Comment: 4 pages, 5 figure

Effect of the Tunneling Conductance on the Coulomb Staircase

Quantum fluctuations of the charge in the single electron box are investigated. The rounding of the Coulomb staircase caused by virtual electron tunneling is determined by perturbation theory up to third order in the tunneling conductance and compared with precise Monte Carlo data computed with a new algorithm. The remarkable agreement for large conductance indicates that presently available experimental data on Coulomb charging effects in metallic nanostructures can be well explained by finite order perturbative results.Comment: 4 pages, 5 figure

Worm algorithms for classical statistical models

We show that high-temperature expansions may serve as a basis for the novel approach to efficient Monte Carlo simulations. "Worm" algorithms utilize the idea of updating closed path configurations (produced by high-temperature expansions) through the motion of end points of a disconnected path. An amazing result is that local, Metropolis-type schemes may have dynamical critical exponents close to zero (i.e., their efficiency is comparable to the best cluster methods). We demonstrate this by calculating finite size scaling of the autocorrelation time for various (six) universality classes.Comment: 4 pages, latex, 2 figure

A Distribution of Tunnel Splittings in Mn12_{12}-Acetate

In magnetic fields applied parallel to the anisotropy axis, the relaxation of the magnetization of Mn$_{12}$ measured for different sweep rates is shown to collapse onto a single scaled curve. The form of the scaling implies that the dominant symmetry-breaking process that gives rise to tunneling is a locally varying second-order anisotropy, forbidden by tetragonal symmetry in the perfect crystal, which gives rise to a broad distribution of tunnel splittings in a real crystal of Mn$_{12}$-acetate. Different forms applied to even and odd-numbered steps provide a distinction between even step resonances (associated with crystal anisotropy) and odd resonances (which require a transverse component of magnetic field).Comment: 4 pages, 5 figures. New title; text more clearly writte

Control of electron spin decoherence caused by electron-nuclear spin dynamics in a quantum dot

Control of electron spin decoherence in contact with a mesoscopic bath of many interacting nuclear spins in an InAs quantum dot is studied by solving the coupled quantum dynamics. The nuclear spin bath, because of its bifurcated evolution predicated on the electron spin up or down state, measures the which-state information of the electron spin and hence diminishes its coherence. The many-body dynamics of nuclear spin bath is solved with a pair-correlation approximation. In the relevant timescale, nuclear pair-wise flip-flops, as elementary excitations in the mesoscopic bath, can be mapped into the precession of non-interacting pseudo-spins. Such mapping provides a geometrical picture for understanding the decoherence and for devising control schemes. A close examination of nuclear bath dynamics reveals a wealth of phenomena and new possibilities of controlling the electron spin decoherence. For example, when the electron spin is flipped by a $\pi$-pulse at $\tau$, its coherence will partially recover at $\sqrt{2}\tau$ as a consequence of quantum disentanglement from the mesoscopic bath. In contrast to the re-focusing of inhomogeneously broadened phases by conventional spin-echoes, the disentanglement is realized through shepherding quantum evolution of the bath state via control of the quantum object. A concatenated construction of pulse sequences can eliminate the decoherence with arbitrary accuracy, with the nuclear-nuclear spin interaction strength acting as the controlling small parameter

Low-temperature behavior of a Magnetic Impurity in a Heisenberg Chain

Using the bosonization technique, we have studied a spin-1/2 magnetic impurity in Heisenberg chain, and shown that the impurity specific heat and spin susceptibility have an anomalous temperature dependence.Comment: 12 pages, Revtex, no figure, to be published in Phys. Rev. Let

Phase diagram of a Disordered Boson Hubbard Model in Two Dimensions

We study the zero-temperature phase transition of a two-dimensional disordered boson Hubbard model. The phase diagram of this model is constructed in terms of the disorder strength and the chemical potential. Via quantum Monte Carlo simulations, we find a multicritical line separating the weak-disorder regime, where a random potential is irrelevant, from the strong-disorder regime. In the weak-disorder regime, the Mott-insulator-to-superfluid transition occurs, while, in the strong-disorder regime, the Bose-glass-to-superfluid transition occurs. On the multicritical line, the insulator-to-superfluid transition has the dynamical critical exponent $z=1.35 \pm 0.05$ and the correlation length critical exponent $\nu=0.67 \pm 0.03$, that are different from the values for the transitions off the line. We suggest that the proliferation of the particle-hole pairs screens out the weak disorder effects.Comment: 4 pages, 4 figures, to be published in PR

A quantum Monte-Carlo method for fermions, free of discretization errors

In this work we present a novel quantum Monte-Carlo method for fermions, based on an exact decomposition of the Boltzmann operator $exp(-\beta H)$. It can be seen as a synthesis of several related methods. It has the advantage that it is free of discretization errors, and applicable to general interactions, both for ground-state and finite-temperature calculations. The decomposition is based on low-rank matrices, which allows faster calculations. As an illustration, the method is applied to an analytically solvable model (pairing in a degenerate shell) and to the Hubbard model.Comment: 5 pages, 4 figures, submitted to Phys. Rev. Let