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Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…

Nuclear Theory · Physics 2009-09-25 G. Rosensteel , Ts. Dankova

We review the recently proposed unreduced, complex-dynamical solution to the many-body problem with arbitrary interaction and its application to the unified solution of fundamental problems, including dynamic foundations of causally…

General Physics · Physics 2014-02-07 Andrei P. Kirilyuk

How does charge density constrain many-body wavefunctions in nature? The Hohenberg-Kohn theorem for non-relativistic, interacting many-body Schr\"odinger systems is well-known and was proved using \emph{reductio-ad-absurdum}; however, the…

Computational Physics · Physics 2022-04-28 Purnima Ghale

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…

Statistical Mechanics · Physics 2018-11-21 Brett Larder , Dirk Gericke , Scott Richardson , Paul Mabey , Thomas White , Gianluca Gregori

In this paper, a statistical physical derivation of thermodynamically consistent fluid mechanical equations is presented for non-isothermal viscous molecular fluids. The coarse-graining process is based on (i) the adiabatic expansion of the…

Statistical Mechanics · Physics 2024-04-18 Gyula I. Tóth

We study structural relaxation of colloidal hard spheres undergoing Brownian motion using dynamical density functional theory. Contrary to the partial linearization route [Stopper {\em et al.}, Phys. Rev. E {\bf 92}, 022151 (2015)] which…

Soft Condensed Matter · Physics 2018-01-16 Daniel Stopper , Roland Roth , Hendrik Hansen-Goos

We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand…

Soft Condensed Matter · Physics 2016-05-25 Daniel de las Heras , Joseph M. Brader , Andrea Fortini , Matthias Schmidt

Strongly interacting matter such as nuclear or quark matter leads to few-body bound states and correlations of the constituents. As a consequence quantum chromodynamics has a rich phase structure with spontaneous symmetry breaking,…

Nuclear Theory · Physics 2009-11-10 M. Beyer , S. Mattiello , S. Strauss , T. Frederico , H. J. Weber , P. Schuck , S. A. Sofianos

A theory of temperature dynamics in many-body systems driven by time-dependent external sources is introduced. The formalism based on the combination of the perturbation theory and the fluctuational-electrodynamics approach in many-body…

Mesoscale and Nanoscale Physics · Physics 2021-07-14 Alireza Naeimi , Moladad Nikbakht

Starting from the many-particle Smoluchowski equation, we derive dynamical density functional theory for Brownian particles with an arbitrary shape. Both passive and active (self-propelled) particles are considered. The resulting theory…

Soft Condensed Matter · Physics 2014-01-28 Raphael Wittkowski , Hartmut Löwen

For classical many-body systems subject to Brownian dynamics we develop a superadiabatic dynamical density functional theory (DDFT) for the description of inhomogeneous fluids out-of-equilibrium. By explicitly incorporating the dynamics of…

Soft Condensed Matter · Physics 2022-12-20 S. M. Tschopp , J. M. Brader

We derive a multiconfigurational time-dependent Hartree theory for systems with particle conversion. In such systems particles of one kind can convert to another kind and the total number of particles varies in time. The theory thus extends…

Quantum Physics · Physics 2009-02-07 Ofir E. Alon , Alexej I. Streltsov , Lorenz S. Cederbaum

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…

Chemical Physics · Physics 2009-11-10 James P. Finley

We consider a system of interacting particles subjected to Langevin inertial dynamics and derive the governing time-dependent equation for the one-body density. We show that, after suitable truncations of the…

Statistical Mechanics · Physics 2007-12-17 Umberto Marini Bettolo Marconi , Simone Melchionna

We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on particle-density but also on any other observable. We…

Strongly Correlated Electrons · Physics 2008-02-03 M. Valiev , G. W. Fernando

Based on recent progress on fermionic exchange symmetry we propose a way to develop new functionals for reduced density matrix functional theory. For some settings with an odd number of electrons, by assuming saturation of the inequalities…

Strongly Correlated Electrons · Physics 2018-10-23 Carlos L. Benavides-Riveros , Miguel A. L. Marques

We introduce a quasiclassical Green function approach describing the unitary yet irreversible dynamics of quantum systems effectively acting as their own environment. Combining a variety of concepts of quantum many-body theory, notably the…

Mesoscale and Nanoscale Physics · Physics 2025-09-09 Alexander Altland , Kun Woo Kim , Tobias Micklitz

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…

Quantum Physics · Physics 2020-04-22 Fardin Kheirandish

Real-time computation of time-dependent quantum mechanical problems are presented for nuclear many-body problems. Quantum tunneling in nuclear fusion at low energy is described using a time-dependent wave packet. A real-time method of…

Nuclear Theory · Physics 2013-10-16 Takashi Nakatsukasa

This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in…

Strongly Correlated Electrons · Physics 2015-09-30 Diego Carrascal , Jaime Ferrer , Justin C. Smith , Kieron Burke