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相关论文: Conserving Approximations in Time-Dependent Densit…

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The possibility of finding multistability in the density and current of an interacting nanoscale junction coupled to semi-infinite leads is studied at various levels of approximation. The system is driven out of equilibrium by an external…

介观与纳米尺度物理 · 物理学 2015-06-03 E. Khosravi , A. -M. Uimonen , A. Stan , G. Stefanucci , S. Kurth , R. van Leeuwen , E. K. U. Gross

The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…

软凝聚态物质 · 物理学 2009-02-05 Yeong E. Kim , Alexander L. Zubarev

yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires ground state electronic structure data as computed by density…

Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…

其他凝聚态物理 · 物理学 2015-06-24 Robert K. Nesbet

Motivated by the dynamics of resonant neurons we discuss the properties of the first passage time (FPT) densities for nonmarkovian differentiable random processes. We start from an exact expression for the FPT density in terms of an…

数据分析、统计与概率 · 物理学 2009-11-11 T. Verechtchaguina , I. M. Sokolov , L. Schimansky-Geier

We reanalyze the recently derived response function for interacting systems in relaxation time approximation respecting density, momentum and energy conservation. We find that momentum conservation leads exactly to the local field…

核理论 · 物理学 2009-11-06 Klaus Morawetz , Uwe Fuhrmann

It is shown that the density-potential mapping and the ${\cal V}$-representability problems in the time-dependent current density functional theory (TDCDFT) are reduced to the solution of a certain many-body nonlinear Schr\"odinger equation…

强关联电子 · 物理学 2012-04-27 I. V. Tokatly

An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…

材料科学 · 物理学 2009-11-10 V. U. Nazarov , J. M. Pitarke , C. S. Kim , Y. Takada

Based on our earlier works [Phys. Rev. B 75, 195127 (2007) & J. Chem. Phys. 128, 234703 (2008)], we propose a formally exact and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The…

化学物理 · 物理学 2015-05-18 Xiao Zheng , GuanHua Chen , Yan Mo , SiuKong Koo , Heng Tian , ChiYung Yam , YiJing Yan

Many-body perturbation theory is often formulated in terms of an expansion in the dressed instead of the bare Green's function, and in the screened instead of the bare Coulomb interaction. However, screening can be calculated on different…

强关联电子 · 物理学 2021-09-15 Walter Tarantino , Bernardo S. Mendoza , Pina Romaniello , J. A. Berger , Lucia Reining

As a universal quantum mechanical approach to the dynamical many-body problem, the time-dependent density functional theory (TDDFT) might be inadequate to describe crucial observables that rely on two-body evolution behavior, like the…

计算物理 · 物理学 2025-11-17 Jiong-Hang Liang , Yunfeng Xiong

The extension of Time Dependent Density Functional Theory (TDDFT) to superfluid systems is discussed in the context of nuclear reactions and large amplitude collective motion.

核理论 · 物理学 2019-11-05 Piotr Magierski

We present an extension of the density-functional theory (DFT) formalism for lattice gases to systems with internal degrees of freedom. In order to test approximations commonly used in DFT approaches, we investigate the statics and dynamics…

统计力学 · 物理学 2009-11-10 S. Heinrichs , W. Dieterich , P. Maass , H. L. Frisch

Starting with a formally exact diagrammatic kinetic theory for the equilibrium correlation functions of particle density and current fluctuations for a monatomic liquid, we develop a theory for high density liquids whose interatomic…

统计力学 · 物理学 2015-06-17 Kevin R. Pilkiewicz , Hans C. Andersen

The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…

核理论 · 物理学 2016-05-09 Kai Wen , Kouhei Washiyama , Ni Fang , Takashi Nakatsukasa

A recent mode coupling theory of higher-order correlation functions is tested on a simple hard-sphere fluid system at intermediate densities. Multi-point and multi-time correlation functions of the densities of conserved variables are…

统计力学 · 物理学 2009-11-07 Ramses van Zon , Jeremy Schofield

Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…

化学物理 · 物理学 2024-11-26 Jochen Schirmer

A density-matrix formalism is developed based on the one-particle density-matrix of a single-determinantal reference-state. The v-representable problem does not appear in the proposed method, nor the need to introduce functionals defined by…

化学物理 · 物理学 2009-11-10 James P. Finley

The electron density $n(\rb,t)$, which is the central tool of time-dependent density functional theory, is presently considered to be derivable from a one-body time-dependent potential $V(\rb,t)$, via one-electron wave functions satisfying…

量子物理 · 物理学 2009-04-28 Thomas A. Niehaus , Norman H. March

We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave…

其他凝聚态物理 · 物理学 2015-05-14 Xianlong Gao , Jianmin Tao , G. Vignale , I. V. Tokatly