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Search Results: 1 - 10 of 335227 matches for " P. E. Kornilovitch "
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Continuous-Time Quantum Monte Carlo Algorithm for the Lattice Polaron
P E Kornilovitch
Physics , 1998, DOI: 10.1103/PhysRevLett.81.5382
Abstract: An efficient continuous-time path-integral Quantum Monte Carlo algorithm for the lattice polaron is presented. It is based on Feynman's integration of phonons and subsequent simulation of the resulting single-particle self-interacting system. The method is free from the finite-size and finite-time-step errors and works in any dimensionality and for any range of electron-phonon interaction. The ground-state energy and effective mass of the polaron are calculated for several models. The polaron spectrum can be measured directly by Monte Carlo, which is of general interest.
Band structure of the Jahn-Teller polaron from Quantum Monte Carlo
P. E. Kornilovitch
Physics , 1999, DOI: 10.1103/PhysRevLett.84.1551
Abstract: 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.
On Feynman's calculation of the Froehlich polaron mass
P. E. Kornilovitch
Physics , 2004,
Abstract: Feynman's formula for the effective mass of the Froehlich polaron is rederived from the formalism of projected partition functions. The mass is calculated as inverse of the diffusion coefficient of the polaron trajectory in imaginary time. It is shown that correlation between the electron and phonon boundary conditions in imaginary time is necessary for consistent derivation of the Feynman result.
Giant enhancement of anisotropy by electron-phonon interaction
P E Kornilovitch
Physics , 1998, DOI: 10.1103/PhysRevB.59.13531
Abstract: Anisotropic electron-phonon interaction is shown to lead to the anisotropic polaron effect. The resulting anisotropy of the polaron band is an exponential function of the electron-phonon coupling and might be as big as $10^3$. This also makes anisotropy very sensitive to small changes of coupling and implies wide variations of anisotropy among compounds of similar structure. The isotope effect on mass anisotropy is predicted. Polaron masses are obtained by an exact Quantum Monte Carlo method. Implications for high-temperature superconductors are briefly discussed.
Ground-state dispersion and density of states from path-integral Monte Carlo. Application to the lattice polaron
P. E. Kornilovitch
Physics , 1999, DOI: 10.1103/PhysRevB.60.3237
Abstract: A formula is derived that relates the ground-state dispersion of a many-body system with the end-to-end distribution of paths with open boundary conditions in imaginary time. The formula does not involve the energy estimator. It allows direct measurement of the ground-state dispersion by quantum Monte Carlo methods without analytical continuation or auxiliary fitting. The formula is applied to the lattice polaron problem. The exact polaron spectrum and density of states are calculated for several models in one, two, and three dimensions. In the adiabatic regime of the Holstein model, the polaron density of states deviates spectacularly from the free-particle shape.
Real-time correlation functions from imaginary-time evolution
P. E. Kornilovitch
Physics , 2000,
Abstract: The problem of calculating real-time correlation functions is formulated in terms of an imaginary-time partial differential equation. The latter is solved analytically for the perturbed harmonic oscillator and compared with the known exact result. The first order approximation for the short-time propagator is derived and used for numerical solution of the equation by a Monte Carlo integration. In general, the method provides a reformulation of the dynamic sign problem, and is applicable to any two-time correlation function including single-particle, density-density, current-current, spin-spin, and others. The prospects of extending the technique onto multi-dimensional problems are discussed.
Photoemission spectroscopy and sum rules in dilute electron-phonon systems
P. E. Kornilovitch
Physics , 2002, DOI: 10.1209/epl/i2002-00187-x
Abstract: A family of exact sum rules for the one-polaron spectral function in the low-density limit is derived. An algorithm to calculate energy moments of arbitrary order of the spectral function is presented. Explicit expressions are given for the first two moments of a model with general electron-phonon interaction, and for the first four moments of the Holstein polaron. The sum rules are linked to experiments on momentum-resolved photoemission spectroscopy. The bare electronic dispersion and the electron-phonon coupling constant can be extracted from the first and second moments of spectrum. The sum rules could serve as constraints in analytical and numerical studies of electron-phonon models.
Pseudogap and photoemission spectra in the attractive Hubbard model
P. E. Kornilovitch,Bumsoo Kyung
Physics , 1998, DOI: 10.1088/0953-8984/11/3/013
Abstract: Angle-resolved photoemission spectra are calculated microscopically for the two-dimensional attractive Hubbard model. A system of self-consistent T-matrix equations are solved numerically in the real-time domain. The single-particle spectral function has a two-peak structure resulting from the presense of bound states. The spectral function is suppressed at the chemical potential, leading to a pseudogap-like behavior. At high temperatures and densities the pseudogap diminishes and finally disappears; these findings are similar to experimental observations for the cuprates.
Polaron effective mass from Monte Carlo simulations
P. E. Kornilovitch,E. R. Pike
Physics , 1997, DOI: 10.1103/PhysRevB.55.R8634
Abstract: A new Monte Carlo algorithm for calculating polaron effective mass is proposed. It is based on the path-integral representation of a partial partition function with fixed total quasi-momentum. Phonon degrees of freedom are integrated out analytically resulting in a single-electron system with retarded self-interaction and open boundary conditions in imaginary time. The effective mass is inversely proportional to the covariance of total energy calculated on an electron trajectory and the square distance between ends of the trajectory. The method has no limitations on values of model parameters and on the size and dimensionality of the system although large statistics is required for stable numerical results. The method is tested on the one-dimensional Holstein model for which simulation results are presented.
Bipolarons from long range interactions: Singlet and triplet pairs in the screened Hubbard-Froehlich model on the chain
J. P. Hague,P. E. Kornilovitch
Physics , 2009, DOI: 10.1103/PhysRevB.80.054301
Abstract: We present details of a continuous-time quantum Monte-Carlo algorithm for the screened Hubbard-Froehlich bipolaron. We simulate the bipolaron in one dimension with arbitrary interaction range in the presence of Coulomb repulsion, computing the effective mass, binding energy, total number of phonons associated with the bipolaron, mass isotope exponent and bipolaron radius in a comprehensive survey of the parameter space. We discuss the role of the range of the electron-phonon interaction, demonstrating the evolution from Holstein to Froehlich bipolarons and we compare the properties of bipolarons with singlet and triplet pairing. Finally, we present simulations of the bipolaron dispersion. The band width of the Froehlich bipolaron is found to be broad, and the decrease in bandwidth as the two polarons bind into a bipolaron is found to be far less rapid than in the case of the Holstein interaction. The properties of bipolarons formed from long range electron-phonon interactions, such as light strongly bound bipolarons and intersite pairing when Coulomb repulsion is large, are found to be robust against screening, with qualitative differences between Holstein and screened Froehlich bipolarons found even for interactions screened within a single lattice site.
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