Non-equilibrium Green’s Function (NGF) method is a powerful tool for studying the evolution of quantum many-body systems. Different types of correlations can be systematically incorporated within the formalism. The time evolution of the single-particle Green’s functions is described in terms of the Kadanoff-Baym equations. The current work initially focuses on introducing the correlations within infinite nuclear matter in one dimension and then in a finite system in the NGF approach. Starting from the harmonic oscillator Hamiltonian, by switching on adiabatically the mean-field and correlations simultaneously, a correlated state with ground-state characteristics is arrived at within the NGF method. Furthermore the use of cooling to for improving the adiabatic switching is explored.
Non-equilibrium Green’s Function (NGF) method is a powerful tool for studying the evolution of quantum many-body systems. Different types of correlations can be systematically incorporated within the formalism. The time evolution of the single-particle Green’s functions is described in terms of the Kadanoff-Baym equations. The current work initially focuses on introducing the correlations within infinite nuclear matter in one dimension and then in a finite system in the NGF approach. Starting from the harmonic oscillator Hamiltonian, by switching on adiabatically the mean-field and correlations simultaneously, a correlated state with ground-state characteristics is arrived at within the NGF method. Furthermore the use of cooling to for improving the adiabatic switching is explored.
Computational difficulties aside, nonequilibrium Green's functions appear ideally suited for investigating the dynamics of central nuclear reactions. Many particles actively participate in those reactions. At the two energy extremes for the collisions, the limiting cases of the Green's function approach have been successful: the time-dependent Hartree-Fock theory at low energy and Boltzmann equation at high. The strategy for computational adaptation of the Green's function to central reactions is discussed. The strategy involves, in particular, incremental progression from one to three dimensions to develop and assess approximations, discarding of far-away function elements, use of effective interactions and preparation of initial states for the reactions through adiabatic switching. At this stage we concentrate on inclusion of correlations in one dimension, where relatively few approximations are needed, and we carry out reference calculations that can benchmark approximations needed for more dimensions. We switch on short-range interactions generating the correlations adiabatically in the Kadanoff-Baym equations to arrive at correlated ground states for uniform matter. As the energy of the correlated matter does not quite match the expectations for nuclear matter we add mean field to arrive at the match in energy. From there on, we move to finite systems. In switching on the correlations we observe emergence of extended tails in momentum distributions and evolution of single particle occupations away from 1 and 0.
This review deals with the state of the art and perspectives of description of nonequilibrium many-body systems using the nonequilibrium Green's function (NGF) method. The basic aim is to describe time evolution of the many-body system from its initial state over its transient dynamics to its long time asymptotic evolution. First, we discuss basic aims of transport theories to motivate the introduction of the NGF techniques. Second, this article summarizes the present view on construction of the electron transport equations formulated within the NGF approach to nonequilibrium. We discuss incorporation of complex initial conditions to the NGF formalism, and the NGF reconstruction theorem, which serves as a tool to derive simplified kinetic equations. Three stages of evolution of the nonequilibrium, the first described by the full NGF description, the second by a non-Markovian generalized master equation and the third by a Markovian master equation will be related to each other.
Abstract. Nonequilibrium Green’s functions represent underutilized means of studying the time evolution of quantum manybody systems. In view of a rising computer power, an effort is underway to apply the Green’s functions formalism to the dynamics of central nuclear reactions. As the first step, mean-field evolution for the density matrix for colliding slabs is studied in one dimension. Strategy to extend the dynamics to correlations is described. Keywords: Green’s functions, Kadanoff-Baym equations, time-dependent Hartree-Fock, nuclear reactions PACS: 24.10.-i, 24.10.Cn
This review deals with the state of the art and perspectives of description of nonequi-librium many-body systems using the nonequilibrium Green’s function (NGF) method. The basic aim is to describe time evolution of the many-body system from its initial state over its transient dynamics to its long time asymptotic evolution. First, we discuss basic aims of transport theories to motivate the introduction of the NGF techniques. Second, this article summarizes the present view on construction of the electron transport equations formulated within the NGF approach to nonequilibrium. We discuss incorporation of complex initial conditions to the NGF formalism, and the NGF reconstruction theorem, which serves as a tool to derive simplified kinetic equations. Three stages of evolution of the nonequilibrium, the first described by the full NGF description,the second by a non-Markovian generalized master equation and the third by a Markovianmaster equation will be related to each other.
We provide a systematic approach to compute different kinds of non-equilibrium Green's functions for open quantum systems which are essentially two-point correlation functions in time. We reveal that the definition of Green's functions based on the Born approximation does not provide the correct results in the leading order of the system-bath coupling. We next provide a systematic correction term in Green's functions by going beyond the Born approximation and incorporating a finite correlation between the system and the bath. We primarily focus on two paradigmatic models of open quantum systems, namely, the dissipative Caldeira-Leggett model and the dissipative spin-boson model. We show that the inclusion of such a correction correctly reproduces the Kadanoff-Baym type equation for the so-called lesser or greater components of the Green's functions and provides the correct long-time result up to the first non-zero order of the system-bath coupling, satisfying the detailed balance condition in thermal equilibrium. We further extend our study to a system coupled to multiple reservoirs simultaneously that are maintained at different temperatures and obtain expressions for non-equilibrium steady-state energy current, once again correct up to the first non-zero order of the system-bath coupling.
In this thesis we present methodologies that have been developed to efficiently solve for the non-equilibrium Green’s Function (NEGF) of interacting electron systems, and demonstrate their applications to several different condensed matter systems. These solvers are based on the numerical integration of the equations of motion for the NEGF, which are known as the Kadanoff-Baym Equations (KBE). The KBE are a general set of equations which allow for the study of a wide range of systems that are of interest to condensed matter physicists, including superconductivity, nuclear matter, molecules and atoms, and qubits, among many others. They are also useful for solving impurity models and systems in the dynamical mean-field theory (DMFT) approximation through their ability to incorporate dynamical hybridization functions. The generality of these equations comes from their connection to time-dependent Many-Body Perturbation Theory (MBPT), which introduces non-Markovian dynamical correlations through the self-energy functional. MBPT ensures important conservation laws, such as those for density and energy, are obeyed no matter the type of time-dependent perturbations that are applied to the Hamiltonian. The non-Markovian correlations manifest in a kernel that couples the dynamics to the entire history of the system. This coupling leads to computational costs that become prohibitively expensive as longer-time dynamics are probed, this is especially true for systems which decohere slowly, leading to undamped dynamics and kernels. Due to the large amount of interest in non-equilibrium quantum dynamics, the availability of efficient solvers for the KBE are of great importance. This thesis will focus on the implementation and analysis of integration methods for the KBE, including compression algorithms which lower computational complexity and adaptive integration techniques which allow for resolution of dynamics which vary over wide ranges of timescales. Chapter 1 gives an introduction to quantum systems and the problems we will be studying. Chapter 2 provides a derivation of the NEGF and its representation on the Keldysh contour. Chapter 3 derives the KBE from MBPT and introduces the self- energy and its conservation laws. Chapter 4 introduces the numerical techniques used to integrate the KBE, as well as an analysis of its causality structure. In Chapter 5, we use compression techniques to lower the complexity of the KBE, and provide details on its implementation. In Chapter 6 we apply the compression algorithm to study the Higgs mode in a superconducting system. In Chapter 7, we couple our solver to an adaptive integrator and analyze its performance against fixed-timestep integrators. Finally, Chapter 8 provides a summary of the results and an outlook for future work on efficient solvers.