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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

L\'{e}vy walk is a popular and more `physical' model to describe the phenomena of superdiffusion, because of its finite velocity. The movements of particles are under the influences of external potentials almost at anytime and anywhere. In…

Statistical Mechanics · Physics 2021-02-03 Yao Chen , Weihua Deng

Many complex systems are characterized by intriguing spatio-temporal structures. Their mathematical description relies on the analysis of appropriate correlation functions. Functional integral techniques provide a unifying formalism that…

Statistical Mechanics · Physics 2009-11-12 Uwe C. Tauber

Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…

Chemical Physics · Physics 2019-10-29 Philippe Blanchard , José M. Gracia-Bondía , Joseph C. Várilly

Density matrices are powerful mathematical tools for the description of closed and open quantum systems. Recently, methods for the direct computation of density matrix elements in scalar quantum field theory were developed based on thermo…

High Energy Physics - Theory · Physics 2025-03-12 Christian Käding , Mario Pitschmann

Dynamical systems often contain oscillatory forces or depend on periodic potentials. Time or space periodicity is reflected in the properties of these systems through a dependence on the parameters of their periodic terms. In this paper we…

Statistical Mechanics · Physics 2015-02-17 Jesús Casado-Pascual , José A. Cuesta , Niurka R. Quintero , Renato Alvarez-Nodarse

We argue that an arbitrarily chosen time-dependent current density is generically non-Vrepresentable in a many-particle system, i.e., it cannot be obtained by applying only a time dependent scalar potential to the system. Furthermore we…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Roberto D'Agosta , Giovanni Vignale

I describe the foundation of a Density Functional Theory approach to include pairing correlations, which was applied to a variety of systems ranging from dilute fermions, to neutron stars and finite nuclei. Ground state properties as well…

Nuclear Theory · Physics 2017-08-23 Aurel Bulgac

In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…

Materials Science · Physics 2016-07-27 M. Grüning , D. Sangalli , C. Attaccalite

An extension of the relativistic density functional approach to the equation of state for strongly interacting matter is suggested which generalizes a recently developed modified excluded-volume mechanism to the case of temperature and…

Nuclear Theory · Physics 2018-02-16 Stefan Typel , David Blaschke

Density functional theory offers a very accurate way of computing materials properties from first principles. However, it is too expensive for modelling large-scale molecular systems whose properties are, in contrast, computed using…

Computational Physics · Physics 2016-12-12 Alexander V. Shapeev

Stochastic resetting is a rapidly developing topic in the field of stochastic processes and their applications. It denotes the occasional reset of a diffusing particle to its starting point and effects, inter alia, optimal first-passage…

Statistical Mechanics · Physics 2023-05-25 C. Di Bello , A. V. Chechkin , A. K. Hartmann , Z. Palmowski , R. Metzler

The sensitivity of trajectories over finite time intervals t to perturbations of the initial conditions can be associated with a finite-time Lyapunov exponent lambda, obtained from the elements M_{ij} of the stability matrix M. For globally…

Disordered Systems and Neural Networks · Physics 2007-05-23 H. Schomerus , M. Titov

We show that Liouville-von Neumann approach to quantum mechanical systems, which demands the existence of invariant operators, reproduces the time-dependent variational Gaussian approximation. We find the effective action of the…

High Energy Physics - Theory · Physics 2018-02-14 Hyeong-Chan Kim , Jae Hyung Yee

We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…

Computational Physics · Physics 2019-06-12 Atsushi Yamada , Kazuhiro Yabana

Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…

Statistical Mechanics · Physics 2009-11-07 M. Kessler , W. Dieterich , H. L. Frisch , J. F. Gouyet , P. Maass

In this paper, we develop the general formalism and properties of the spacetime density matrix, which captures correlations among different Cauchy surfaces and can be regarded as a natural generalization of the standard density matrix…

High Energy Physics - Theory · Physics 2025-08-29 Wu-zhong Guo

We present a new method to describe the kinetics of driven lattice gases with particle-particle interactions beyond hard-core exclusions. The method is based on the time-dependent density functional theory for lattice systems and allows one…

Statistical Mechanics · Physics 2015-05-20 Marcel Dierl , Philipp Maass , Mario Einax

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

A density functional theory for many-body lattice models is considered in which the single-particle density matrix is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy…

Strongly Correlated Electrons · Physics 2009-10-31 R. Lopez-Sandoval , G. M. Pastor