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Physical Review A

Applications of nonequilibrium Green functions to time-dependent decaying systems

Songho Murmrgn Gim

Published Dec 5, 2007• 0 citations
Publisher

Abstract

We used nonequilibrium many-body Green techniques for the time varying resonant phenomena in few-body systems. By relating the transition energy shift and width to the self-energy and by applying the functional variational techniques to the transition energy shift and width, the corresponding initial state resonant wave functions are derived. Then we obtained time-dependent decaying state wave functions, evolving from these initial states by solving the time-dependent Schr\"odinger equation for the decaying system numerically. Finally, we observed the plausible time decaying behaviors of our model as predicted by real few-body systems.

DOI
10.1103/physreva.76.064102

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We used nonequilibrium many-body Green techniques for the time varying resonant phenomena in few-body systems. By relating the transition energy shift and width to the self-energy and by applying the functional variational techniques to the transition energy shift and width, the corresponding initial state resonant wave functions are derived. Then we obtained time-dependent decaying state wave functions, evolving from these initial states by solving the time-dependent Schr"odinger equation for the decaying system numerically. Finally, we observed the plausible time decaying behaviors of our model as predicted by real few-body systems.
Green's functions and transition self-energies of dissipative quantum-mechanical many-body systems are formulated in terms of operator-basis expansions of Heisenberg equations of motion in Liouville space. Matrix elements of the Liouvillian with respect to arbitrary nonorthogonal operator bases play a primary role in the analysis. The self-energies are expressed as functionals of initial statistical ensemble averages which are presumed known and not restricted to systems at or near equilibrium; this provides a first-principles approach to use of spectral line shapes as a diagnostic of the nonequilibrium state of a dense gas, plasma, and/or radiation field. A perturbation expansion of the self-energy is derived and the general term is interpreted in terms of a subtraction of reducible parts. A separation into resonant and nonresonant contributions plays a crucial role in the analysis. The first-order resonant contribution yields a generalized statistical Hartree-Fock approximation, whereas the second-order contribution generalizes the Weisskopf-Wigner theory of decaying states to include thermal and, more generally, nonequilibrium environmental effects on transition-energy shifts and widths. Off-diagonal contributions to the self-energy are shown to be essential for inclusion of environmental contributions.
In this work we discuss the application of nonequilibrium Green functions theory to atomic and molecular systems with the aim to study charge and energy transport in these systems. We apply the Kadanoff-Baym equations to atoms and diatomic molecules initially in the ground state. The results obtained for the correlated initial states are used to analyze variational energy functionals of the Green function which are shown to perform very well. We further show an application of the Kadanoff-Baym equations to a molecule exposed to an external laser field. Finally we discuss the connection between nonequilibrium Green function theory and time-dependent density-functional theory with the aim to develop better density functionals in order to treat larger systems than those attainable with the nonequilibrium Green function method.
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.
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.
To model the decay of a quasibound state we use the modified two-potential approach introduced by Gurvitz and Kalbermann [1,2]. This method has proved itself useful in the past for calculating the decay width and the energy shift of an isolated quasistationary state [5]. We follow the same approach in order to propagate the wave-packet in time with the ultimate goal of extracting the momentum-distribution of emitted particles. The advantage of the method is that it provides the time-dependent wave function in a simple semi-analytic form. We intend to apply this method to the modeling of metastable states for which no direct integration of the time-dependent Schrödinger equation is available today.
To model the decay of a quasibound state we use the modified two-potential approach introduced by Gurvitz and Kalbermann [1,2]. This method has proved itself useful in the past for calculating the decay width and the energy shift of an isolated quasistationary state [5]. We follow the same approach in order to propagate the wave-packet in time with the ultimate goal of extracting the momentum-distribution of emitted particles. The advantage of the method is that it provides the time-dependent wave function in a simple semi-analytic form. We intend to apply this method to the modeling of metastable states for which no direct integration of the time-dependent Schrödinger equation is available today.