Related papers: Polaron effective mass from Monte Carlo simulation…
Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies. We will review methods we have…
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…
The electron-phonon interaction corresponding to the Holstein model (with Coulomb repulsion) is simulated in infinite dimensions using a novel quantum Monte Carlo algorithm. The thermodynamic phase diagram includes commensurate…
We use determinant quantum Monte Carlo to study the single particle properties of quasiparticles and phonons in a variant of the two-dimensional Holstein model that includes an additional non-linear electron-phonon (e-ph) interaction. We…
A theoretical description of elastic polarized muon-electron scattering is presented. Complete one-loop electroweak radiative corrections are calculated with taking into account the exact dependence on the muon mass. The effects due to some…
We construct an effective Hamiltonian via Monte Carlo from a given action. This Hamiltonian describes physics in the low energy regime. We test it by computing spectrum, wave functions and thermodynamical observables (average energy and…
Dynamical simulations of polaron transport in conjugated polymers in the presence of an external time-dependent electric field have been performed within a combined extended Hubbard model (EHM) and Su-Schrieffer-Heeger (SSH) model. Nearly…
The polarization operator in a constant and homogeneous magnetic field of arbitrary strength is investigated on mass shell. The calculations are carried out at all photon energies higher the pair creation threshold as well as lower this…
We carry out highly accurate \emph{ab initio} path integral Monte Carlo (PIMC) simulations to directly estimate the free energy of various warm dense matter systems including the uniform electron gas and hydrogen without any nodal…
Electron--positron annihilation into hadrons plus an energetic photon from initial-state radiation allows the hadronic cross-section to be measured over a wide range of energies at high luminosity meson factories. Weighted integrals over…
We present recent advances in understanding of the ground and excited states of the electron-phonon coupled systems obtained by novel methods of Diagrammatic Monte Carlo and Stochastic Optimization, which enable the approximation-free…
We measure the effective mass (m*) of interacting two-dimensional electrons confined to an AlAs quantum well while we change the conduction-band valley occupation and the spin polarization via the application of strain and magnetic field,…
A new Monte Carlo method is proposed for fermion systems interacting with classical degrees of freedom. To obtain a weight for each Monte Carlo sample with a fixed configuration of classical variables, the moment expansion of the density of…
The formation of a polaron quasiparticle from a bare electron is studied in the framework of the Holstein model of electron-phonon coupling. Using Schr\"{o}dinger's formalism, we calculate the time evolution of the distribution of the…
The efficiency of a Markov chain Monte Carlo algorithm might be measured by the cost of generating one independent sample, or equivalently, the total cost divided by the effective sample size, defined in terms of the integrated…
We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…
In a recent Letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy, an efficient method for the calculation of the static…
Mobile impurity atoms immersed in Bose-Einstein condensates provide a new platform for exploring Bose polarons. Recent experimental advances in the field of ultracold atoms make it possible to realize such systems with highly tunable…
Based on a recently developed variational method, we explore the properties of the Holstein polaron on an infinite lattice in $D$ dimensions, where $ 1 \le D \le 4$. The computational method converges as a power law, so that highly accurate…
We show how to systematically improve the Momentum Average (MA)approximation for the Green's function of a Holstein polaron, bysystematically improving the accuracy of the self-energy diagrams in such a way that they can still all be summed…