Many-body diagrammatic expansion in a kohn-sham basis: implications for time-dependent density functional theory of excited states

We formulate diagrammatic rules for many-body perturbation theory which uses Kohn-Sham Green's functions as basic propagators. The diagram technique allows one to study the properties of the dynamic nonlocal exchange-correlation (xc) kernel f(xc). We show that the spatial nonlocality of f(xc) is strongly frequency dependent. In particular, in extended systems the nonlocality range diverges at the excitation energies. This divergency is related to the discontinuity of the xc potential.     

Exact treatment of exciton-polaron formation by diagrammatic Monte Carlo simulations

We develop an approximation-free diagrammatic Monte Carlo technique to study fermionic particles interacting with each other simultaneously through both an attractive Coulomb potential and bosonic excitations of the underlying medium. Exemplarily we apply the method to the long-standing exciton-polaron problem and present numerically exact results for the wave function, ground-state energy, binding energy and effective mass of this quasiparticle. Focusing on the electron-hole pair bound-state formation, we discuss various limiting cases of a generic exciton-polaron model. The frequently used instantaneous approximation to the retarded interaction due to the exchange of phonons is found to be of very limited applicability.     

Many-body work distributions

The work distribution function for a non-relativistic, non-interacting quantum many-body system interacting with classical external sources is investigated. Exact expressions for the characteristic function corresponding to the work distribution function is obtained for arbitrary switching function and coupling functions. The many-body frequencies are assumed to be generally time-dependent in order to take into account the possibility of moving the boundaries of the system in a predefined process linking the characteristic function to the fluctuation-induced energies in confined geometries. Some limiting cases are considered and discussed.     

Many-body effects in nuclei

A correction to nuclear structure calculations due to the finite lifetime of the excited states of a nucleus entails many-body effects of different nature. The analytical structure, as well as the results of numerical calculations, are given and discussed.Presented at the symposium Mesons and Light Nuclei, Bechyn, Czechoslovakia, May 27–June 1, 1985.     

Many-body theory of nuclear matter

We combine the many-body theory and the low-density expansion developed by Brueckner, Bethe and others to investigate several properties of the ground state and of single-particle excited states of symmetric nuclear matter. We calculate the following quantities from Reid's hard core nucleon-nucleon interaction: strength, energy-dependence, nonlocality and density-dependence of the real and of the imaginary parts of the optical-model potential, momentum distribution in the interacting ground state, dependence on density and momentum of the norm of a quasiparticle and of the effective mass, spectral function for particle states, saturation density and average binding energy per nucleon. No free parameter is adjusted in the calculation; good agreement is obtained with empirical values. It is shown that the effective mass has a narrow maximum at the Fermi surface; this is investigated in the framework of analytical models.     

Many-body hydrodynamic interactions in suspensions

We consider hydrodynamic interactions between N rigid bodies of arbitrary shape immersed in an incompressible fluid. We study the generalized mobility matrix relating the translational and rotational velocities and the symmetric force dipole moments to the forces, the torques and the strain of an incident flow field. We show that the elements of the mobility matrix may be obtained as matrix elements of an operator related to the friction kernel. This allows a multiple scattering expansion of the mobility matrix.     

A diagrammatic approach to spin algebras

A reduction formula for the thermal average of the time-ordered product of spin operators for a magnetic moment in a field H is presented. The reduction formula and the spin algebra are used to compute the magnetization. The procedure provides the basis for a diagrammatic approach to interacting spin systems.     

A diagrammatic categorification of the fermion algebra

In this paper, we study the diagrammatic categorification of the fermion algebra. We construct a graphical category corresponding to the one-dimensional （1D） fermion algebra, and we investigate the properties of this category. The categorical analogues of the Fock states are some kind of 1-morphisms in our category, and the dimension of the vector space of 2-morphisms is exactly the inner product of the corresponding Fock states. All the results in our categorical framework coincide exnetlv with those in normal quantum mechanics.     

Many-body radiative heat transfer theory

In this Letter, an N-body theory for the radiative heat exchange in thermally nonequilibrated discrete systems of finite size objects is presented. We report strong exaltation effects of heat flux which can be explained only by taking into account the presence of many-body interactions. Our theory extends the standard Polder and van Hove stochastic formalism used to evaluate heat exchanges between two objects isolated from their environment to a collection of objects in mutual interaction. It gives a natural theoretical framework to investigate the photon heat transport properties of complex systems at the mesoscopic scale.     

Many-body approximation scheme beyond GW

We explore the combination of the extended dynamical mean field theory (EDMFT) with the GW approximation (GWA); the former sums the local contributions to the self-energies to infinite order in closed form and the latter handles the nonlocal ones to lowest order. We investigate the different levels of self-consistency that can be implemented within this method by comparing to the exact quantum Monte Carlo solution of a finite-size model Hamiltonian. We find that using the EDMFT solution for the local self-energies as input to the GWA for the nonlocal self-energies gives the best result.     

相对论核多体研究进展

简要评述了相对论核多体理论最近的发展及其在核物质和有限核的微观描述方面的应用 ,所涉及的理论框架主要是相对论 Brueckner- Hartree- Fock理论和相对论平均场理论 .例举了某些最新的应用领域 ,同时也讨论了若干待解决的问题和可能开展的工作. Relativistic many body methods, which include the relativistic Brueckner Hartree Fock (RBHF) theory and the relativistic mean field (RMF) approach, were introduced, while their progress and application for nuclear matter and finite nuclei were presented. The open questions in this field and the trend in future were also discussed.     

Many-body effects in diffusion-limited kinetics

We review a novel approach to treating many-body effects in diffusion-limited kinetics. The derivation of the general expression for the survival probability of a Brownian particle in the presence of randomly distributed traps is given. The reduction of this expression to both the Smoluchowski solultion and the wellknown asymptotic behavior is demonstrated. It is shown that the Smoluchowski solution gives a lower bound for the particle survival probability. The correction to the Smoluchowski solution which takes into account the particle death slowdown in the initial process stage is described. The steady-state rate-constant concentration dependence and the reflection of many-body effects in it are discussed in detail.     

Many-body effects in nuclear structure

We calculate, for the first time, the state-dependent pairing gap of a finite nucleus (¹²⁰Sn) diagonalizing the bare nucleon-nucleon potential (Argonne v ₁₄) in a Hartree-Fock basis (with effective k-mass ), within the framework of the generalized Bogoliubov-Valatin approximation including scattering states up to 800 MeV above the Fermi energy to achieve convergence. The resulting gap accounts for about half of the experimental gap. The combined effect of the bare nucleon-nucleon potential and of the induced pairing interaction arising from the exchange of low-lying surface vibrations between nucleons moving in time-reversal states close to the Fermi energy accounts for the experimental gap.Received: 3 November 2003, Published online: 6 July 2004PACS: 21.30.Fe Forces in hadronic systems and effective interactions - 21.60.Jz Hartree-Fock and random-phase approximations - 21.60.-n Nuclear structure models and methods - 27.60. + j      

激发态过程的多体理论方法

描述多电子体系的绝大部分参量可实验测量,如吸收光谱、发光光谱和激子效应等,都涉及电子激发态的正确描述。密度泛函理论(DFT)框架内的局域密度近似(LDA)作为第一性原理基态理论,即基于Kohn-Sham方程的解,是研究多粒子体系基态性质非常有力的工具。然而,体系激发态的第一性原理理论及其计算要比基态的理论计算复杂得多。关键问题在于描写基态和激发态时,粒子间的交换关联相互作用并不相同,而对于非均匀相互作用多粒子体系的交换关联能至今仍不清楚。不过,近年来关于激发态问题的研究,先后发展了许多描述电子激发态的理论,最重要的是基于准粒子概念和Green函数方程的多体微扰理论和含时间密度泛函理论(TDDFT)以及与此相关的描述电子-空穴相互作用的Bethe-Salpeter方程在凝聚态物理问题中的应用。其中最关键的物理量是粒子的自能算符Σ,它描述Hartree近似之外的交换和关联效应。虽然这些理论不可避免地也要引入某些近似,如对于Σ的一个好的近似就是Hedin的GW近似方法。对许多实际凝聚态体系的计算机模拟结果表明,GW近似是描述激发态问题相当成功的理论方法。将Hartree-Fock(HF)理论与LDA相结合,但采用非局域屏蔽交换代替HF方法中的局域非屏蔽交换相互作用,建立广义的KS方程(GKS),得到所谓屏蔽交换局域密度近似(sX-LDA)方法。我们在平面波自洽场方法PWscf程序包的基础上,发展了PW scf-sX-LDA方法,也是处理激发态问题及材料设计的有效方法。将评述激发态过程多体理论各种方法的发展和意义,讨论这些多体理论方法之间的联系和差异,并在此基础上介绍它们在解决半导体带带跃迁(或带隙偏小问题)、半导体及其微结构中的激子效应等重要领域的应用和成果。     

Many-body effects in molecular solids

The effects of many-body interactions in the molecular (rare-gas) solids have been investigated, on the basis of Axilrod-Teller approximation, by a rigid-atom model. It is found that the 3-body interaction is the most dominant of all and the rest may be safely ignored. The discrepancy seen in the phonon dispersion curves is expected to be removed by the inclusion of appropriate anharmonic effects.