Related papers: Coupled forward-backward trajectory approach for n…
We present a general theory to explore energy transfer in nonequilibrium spin-boson models within the framework of nonequilibrium Green's function (NEGF). In contrast to conventionally used NEGF methods based on a perturbation expansion in…
We review our results for the dynamics of isolated many-body quantum systems described by one-dimensional spin-1/2 models. We explain how the evolution of these systems depends on the initial state and the strength of the perturbation that…
We examine electron-electron mediated relaxation following excitation of a correlated system by an ultrafast electric field pump pulse. The results reveal a dichotomy in the temporal evolution as one tunes through a Mott metal-to-insulator…
A semi-implicit Lax-Wendroff kinetic scheme is developed for hydrodynamic phonon transport in solid materials based on the Boltzmann transport equation under the double relaxation time approximation, in which both the normal and resistive…
We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…
We study the time evolution of the Nelson model in a mean-field limit in which N non-relativistic bosons weakly couple (w.r.t. the particle number) to a positive or zero mass quantized scalar field. Our main result is the derivation of the…
We present theoretical foundations and numerical demonstration of an efficient method for performing time-dependent many-electron simulations for electronic transport. The method employs the concept of stroboscopic wavepacket basis for the…
We provide a theoretical framework to describe the nonequilibrium temporal dynamics of correlated electron systems for realistic system parameters and the consequent, often exponentially long time scales. It is based on an entirely…
We calculate the nonequilibrium conductance through a molecule or a quantum dot in which the occupation of the relevant electronic level is coupled with intensity $\lambda$ to a phonon mode, and also to two conducting leads. The system is…
Green's function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green's function based on the…
We derive a formulation of mixed quantum-classical dynamics for describing electronic carriers interacting with phonons in reciprocal space. For dispersionless phonons, we start by expressing the real-space classical coordinates in terms of…
A central challenge in strongly interacting many-body systems is understanding the far-from-equilibrium dynamics. Here, we study the many-body magnetic dynamics of the two-component Bose-Hubbard model by developing a two-component extension…
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…
A new linear relaxation system for nonconservative hyperbolic systems is introduced, in which a nonlocal source term accounts for the nonconservative product of the original system. Using an asymptotic analysis the relaxation limit and its…
We derive from a microscopic Hamiltonian a set of stochastic equations of motion for a system of spinless charged particles in an electromagnetic (EM) field based on a consistent application of a dimensionful 1/c expansion of quantum…
The structure of moving nonlinear excitations in one-dimensional electron-phonon systems is studied semi-phenomenologically by using an effective action in which the width of the nonlinear excitation is treated as a dynamical variable. The…
We use the so-called Liouville-von Neumann (LvN) approach to study the nonequilibrium quantum dynamics of time-dependent second order phase transitions. The LvN approach is a canonical method that unifies the functional Schr\"{o}dinger…
Ultrafast multistage electron transfer (ET) in molecular systems with multiple redox centers is fundamental to photochemical energy conversion, including processes in natural photosynthesis, molecular optoelectronics, and organic…
It is well known, thanks to Lax-Wendroff theorem, that the local conservation of a numerical scheme for a conservative hyperbolic system is a simple and systematic way to guarantee that, if stable, a scheme will provide a sequence of…
In this paper, we consider the wave propagations of viscoelastic materials, which has been derived by Taiping-Liu to approximate the viscoelastic dynamic system with fading memory (see [T.P.Liu(1988)\cite{LiuTP}]) by the Chapman-Enskog…