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Related papers: Time-dependent deformation functional theory

200 papers

Understanding the thermodynamic properties of many-body quantum systems and their emergence from microscopic laws is a topic of great significance due to its profound fundamental implications and extensive practical applications. Recent…

Quantum Physics · Physics 2024-09-05 Antonio Palamara , Francesco Plastina , Antonello Sindona , Irene D'Amico

An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a \textit{partition-free} approach by Cini…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Gianluca Stefanucci , Carl-Olof Almbladh

We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…

Statistical Mechanics · Physics 2016-08-31 Umberto Marini Bettolo Marconi , Pedro Tarazona

We apply the time-dependent current-density functional theory to the study of the relaxation of a closed many-electron system evolving from an non-equilibrium initial state. We show that the self-consistent unitary time evolution generated…

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

In this paper, we present a Lagrangian formalism for nonequilibrium thermodynamics. This formalism is an extension of the Hamilton principle in classical mechanics that allows the inclusion of irreversible phenomena in both discrete and…

Mathematical Physics · Physics 2015-10-06 François Gay-Balmaz , Hiroaki Yoshimura

The dissipative dynamics of many-electron systems interacting with a thermal environment has remained a long-standing challenge within time-dependent density functional theory (TDDFT). Recently, the formal foundations of open quantum…

Other Condensed Matter · Physics 2015-05-20 David G. Tempel , Alán Aspuru-Guzik

A theory of freezing of a dense hard sphere gas is presented. Starting from a revised Enskog theory, hydrodynamic equations that account for non-local variations in the density but local variations in the flow field are derived using a…

Statistical Mechanics · Physics 2015-06-17 Arvind Baskaran , Aparna Baskaran , John Lowengrub

We review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) formalism. Within this formalism, one can treat, on the same…

Mesoscale and Nanoscale Physics · Physics 2022-06-27 M. Ridley , N. W. Talarico , D. Karlsson , N. Lo Gullo , R. Tuovinen

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…

Strongly Correlated Electrons · Physics 2012-04-27 I. V. Tokatly

We use analytic (current) density-potential maps of time-dependent (current) density functional theory (TD(C)DFT) to inverse engineer analytically solvable time-dependent quantum problems. In this approach the driving potential (the control…

Quantum Physics · Physics 2016-06-01 Mehdi Farzanehpour , I. V. Tokatly

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

Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…

Soft Condensed Matter · Physics 2013-09-06 Matthias Schmidt , Joseph M. Brader

Time-dependent density-functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework,…

Materials Science · Physics 2014-01-29 Carsten A. Ullrich , Zeng-hui Yang

Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach,…

Chemical Physics · Physics 2015-05-18 David G. Tempel , Mark A. Watson , Roberto Olivares-Amaya , Alán Aspuru-Guzik

The nonequilibrium Green's function formalism provides a versatile and powerful framework for numerical studies of nonequilibrium phenomena in correlated many-body systems. For calculations starting from an equilibrium initial state, a…

Strongly Correlated Electrons · Physics 2024-07-11 Matthias Murray , Hiroshi Shinaoka , Philipp Werner

We extend a recent formulation of quantum continuum mechanics [J. Tao et. al, Phys. Rev. Lett. {\bf 103}, 086401 (2009)] to many-body systems subjected to a magnetic field. To accomplish this, we propose a modified Lagrangian approach, in…

Strongly Correlated Electrons · Physics 2012-04-27 S. Pittalis , G. Vignale , I. V. Tokatly

We discuss the particle method in quantum mechanics which provides an exact scheme to calculate the time-dependent wavefunction from a single-valued continuum of trajectories where two spacetime points are linked by at most a single orbit.…

Quantum Physics · Physics 2009-11-10 Peter Holland

Fluid deformation controls myriad processes in random flows including mixing and dispersion, stress development in complex fluids, colloid transport and deposition, droplet breakup and emulsification, fluid-structure interaction, chemical…

Fluid Dynamics · Physics 2026-05-07 Daniel Lester , Marco Dentz

We derive the gravitational Lagrangian to all orders of curvature when the canonical constraint algebra is deformed by a phase space function as predicted by some studies into loop quantum cosmology. The deformation function seems to be…

General Relativity and Quantum Cosmology · Physics 2020-11-25 Rhiannon Cuttell , Mairi Sakellariadou

The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…

Condensed Matter · Physics 2007-05-23 Sandro Stringari