Quantenfeldtheorie wechselwirkender Vielteilchensysteme zur semiklassischen Beschreibung von kollektiver Bewegung mit großen Amplituden

By using path integral methods a collective quantum field theory of interacting many-body systems is developed, the classical limit of which is given by the time-dependent mean-field approximation. In this way the mean-field approximation is embedded into the full quantum mechanics and the quantum corrections to the “classical” mean-field approximation can be systematically evaluated. By including the dominant quantum corrections to the mean-field approximation a semiclassical theory of large amplitude collective motions in many-body-systems, which show a highly nonlinear dynamic and are not accessible to perturbation theoretical methods, is derived. The semiclassical theory is developed explicitly for bound states and decay processes like nuclear fission. In the case of bound states this leads to the quantization of the time-dependent Hartree-Fock-Theory, which is demonstrated for a uniform nuclear rotation.     

Role of qubit-cavity entanglement for switching dynamics of quantum interfaces in superconductor metamaterials

We study quantum effects of strong driving field applied to dissipative hybrid qubit-cavity system which are relevant for a realization of quantum gates in superconducting quantum metamaterials. We demonstrate that effects of strong and non-stationary drivings have significantly quantum nature and cannot be treated by means of mean-field approximation. This is shown from a comparison of steady state solution of the standard Maxwell–Bloch equations and numerical solution of Lindblad equation on a density matrix. We show that mean-field approach provides very good agreement with the density matrix solution at not very strong drivings f < f* but at f > f* a growing value of quantum correlations between fluctuations in qubit and photon sectors changes a behavior of the system. We show that in regime of non-adiabatic switching on of the driving such a quantum correlations influence a dynamics of qubit and photons even at weak f.     

Bohmian trajectory perspective on strong field atomic processes

The interaction of an atom with an intense laser field provides an important approach to explore the ultrafast electron dynamics and extract the information of the atomic and molecular structures with unprecedented attosecond temporal and angstrom spatial resolution. To well understand the strong field atomic processes, numerous theoretical methods have been developed, including solving the time-dependent Schr ?dinger equation(TDSE), classical and semiclassical trajectory method, quantum S-matrix theory within the strong-field approximation, etc. Recently, an alternative and complementary quantum approach, called Bohmian trajectory theory, has been successfully used in the strong-field atomic physics and an exciting progress has been achieved in the study of strong-field phenomena. In this paper, we provide an overview of the Bohmian trajectory method and its perspective on two strong field atomic processes, i.e., atomic and molecular ionization and high-order harmonic generation, respectively.     

Finite-temperature magnetism of transition metals: an ab initio dynamical mean-field theory

We present an ab initio quantum theory of the finite-temperature magnetism of iron and nickel. A recently developed technique which combines dynamical mean-field theory with realistic electronic structure methods successfully describes the many-body features of the one electron spectra and the observed magnetic moments below and above the Curie temperature.     

Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics

The mean-field treatment of electron-nuclear interaction results in many qualitative breakdowns in the time-dependent Kohn-Sham (TDKS) density functional theory. Examples include current-induced heating in nanoelectronics, charge dynamics in quantum dots and carbon nanotubes, and relaxation of biological chromophores. The problem is resolved by the trajectory surface-hopping TDKS approach, which is illustrated by the photoinduced electron injection from a molecular chromophore into TiO2, and the excited-state relaxation of the green fluorescent protein chromophore.     

The heat and work of quantum thermodynamic processes with quantum coherence

Energy is often partitioned into heat and work by two independent paths corresponding to the change in the eigenenergies or the probability distributions of a quantum system. The discrepancies of the heat and work for various quantum thermodynamic processes have not been well characterized in literature. Here we show how the work in quantum machines is differentially related to the isochoric, isothermal, and adiabatic processes. We prove that the energy exchanges during the quantum isochoric and isothermal processes are simply depending on the change in the eigenenergies or the probability distributions. However, for a time-dependent system in a non-adiabatic quantum evolution, the transitions between the different quantum states representing the quantum coherence can affect the essential thermodynamic properties, and thus the general definitions of the heat and work should be clarified with respect to the microscopic generic time-dependent system. By integrating the coherence effects in the exactly-solvable dynamics of quantum-spin precession, the internal energy is rigorously transferred as the work in the thermodynamic adiabatic process. The present study demonstrates that the quantum adiabatic process is sufficient but not necessary for the thermodynamic adiabatic process.     

Absence of single-particle Bose-Einstein condensation at low densities for bosons with correlated hopping

Motivated by the physics of mobile triplets in frustrated quantum magnets, the properties of a two-dimensional model of bosons with correlated hopping are investigated. A mean-field analysis reveals the presence of a pairing phase without single-particle Bose-Einstein condensation (BEC) at low densities for sufficiently strong correlated hopping, and of an Ising quantum phase transition towards a BEC phase at larger density. The physical arguments supporting the mean-field results and their implications for bosonic and quantum spin systems are discussed.     

非绝热分子动力学的量子路径模拟

基于近期发展的经典-量子混合模拟非绝热分子动力学的量子路径方案,本文对5个典型势能面模型进行了模拟,包括单交叉模型、双交叉模型、拓展耦合模型、哑铃模型以及双弓模型.由于难以在严格意义上得到退相干速率,数值模拟中,我们比较了三个不同的退相干速率公式,包括冻结高斯波包近似退相干速率、能量分辨速率以及力分辨速率.在模拟过程中,我们恰当地处理了势能面跳跃时的能量守恒和力的反向问题.通过与全量子动力学模拟的精确结果进行对比发现,对于结构较简单的势能面模型,三种退相干速率都能得到较好的结果;然而对于较复杂的势能面模型,由于复杂量子干涉的原因,与其他混合经典-量子动力学方案类似,量子路径方案仍然难以得到较准确的结果.如何发展更加有效的混合经典-量子模拟方案,是未来研究的重要课题.     

Ursell operators in statistical physics of dense systems: the role of high order operators and of exchange cycles

The purpose of this article is to discuss cluster expansions in dense quantum systems, as well as their interconnection with exchange cycles. We show in general how the Ursell operators of order l≥ 3 contribute to an exponential which corresponds to a mean-field energy involving the second operator U₂, instead of the potential itself as usual - in other words, the mean-field correction is expressed in terms of a modification of a local Boltzmann equilibrium. In a first part, we consider classical statistical mechanics and recall the relation between the reducible part of the classical cluster integrals and the mean-field; we introduce an alternative method to obtain the linear density contribution to the mean-field, which is based on the notion of tree-diagrams and provides a preview of the subsequent quantum calculations. We then proceed to study quantum particles with Boltzmann statistics (distinguishable particles) and show that each Ursell operator U_n with n≥ 3 contains a “tree-reducible part”, which groups naturally with U₂ through a linear chain of binary interactions; this part contributes to the associated mean-field experienced by particles in the fluid. The irreducible part, on the other hand, corresponds to the effects associated with three (or more) particles interacting all together at the same time. We then show that the same algebra holds in the case of Fermi or Bose particles, and discuss physically the role of the exchange cycles, combined with interactions. Bose condensed systems are not considered at this stage. The similarities and differences between Boltzmann and quantum statistics are illustrated by this approach, in contrast with field theoretical or Green's functions methods, which do not allow a separate study of the role of quantum statistics and dynamics. Received 18 October 2001