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We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the…

Other Condensed Matter · Physics 2019-03-27 Meta van Faassen , Kieron Burke

By splitting the Coulomb interaction into long-range and short-range components, we decompose the energy of a quantum electronic system into long-range and short-range contributions. We show that the long-range part of the energy can be…

Chemical Physics · Physics 2009-11-10 Julien Toulouse , Francois Colonna , Andreas Savin

A method to derive the charge current density and its quantum mechanical correlation from the scattering matrix is discussed for quantum scattering systems described by a time-dependent Hamiltonian operator. The current density and charge…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Tooru Taniguchi

Astrophysical indications that the fine structure constant has undergone a small time variation during the cosmological evolution are discussed within the framework of the standard model of the electroweak and strong interactions and of…

High Energy Physics - Phenomenology · Physics 2007-05-23 H. Fritzsch

The Thomas-Fermi (TF) approximation for the static dielectric constant of a three-dimensional electron liquid can be derived from minimizing the TF local-density approximation for the kinetic-energy functional. Here we show that this…

Materials Science · Physics 2009-11-11 A. P. Favaro , Joao Vitor Batista Ferreira , K. Capelle

The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…

Chemical Physics · Physics 2024-12-17 Jing Kong

We theoretically investigate the time dependence of the first order coherence function for a one-dimensional driven dissipative non-equilibrium condensate. Simulations on the generalized Gross-Pitaevskii equation (GGPE) show that the…

Quantum Gases · Physics 2015-01-09 Kai Ji , Vladimir N. Gladilin , Michiel Wouters

A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…

Materials Science · Physics 2009-11-10 Jose M. Soler

We show that the time-dependence of correlation functions in an extended quantum system in d dimensions, which is prepared in the ground state of some hamiltonian and then evolves without dissipation according to some other hamiltonian, may…

Statistical Mechanics · Physics 2009-11-11 Pasquale Calabrese , John Cardy

An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density-functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the…

Other Condensed Matter · Physics 2007-05-23 Prasanjit Samal , Manoj K. Harbola

We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…

Materials Science · Physics 2009-02-07 Vinod Krishna

We derive an approximate local density functional for the exchange-correlation energy to be used in density-functional calculations of two-dimensional systems. In the derivation we employ the Colle-Salvetti wave function within the scheme…

Strongly Correlated Electrons · Physics 2010-07-12 S. Sakiroglu , E. Rasanen

We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 F. G. Eich , M. Di Ventra , G. Vignale

A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…

Chemical Physics · Physics 2025-11-27 Yetmgeta Aklilu , Matthew Shepherd , Cody L. Covington , Kalman Varga

A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves…

Chemical Physics · Physics 2016-11-04 Yi Gao , Daniel Neuhauser , Roi Baer , Eran Rabani

Steady-state density functional theory, called i-DFT, is employed to compute spectral and transmission properties of general interacting nanoscale regions coupled to electronic reservoirs. Exchange-correlation functionals are constructed…

Mesoscale and Nanoscale Physics · Physics 2026-05-20 Nahual Sobrino , Stefan Kurth

Time-dependent current-density-functional theory (TDCDFT) provides an in principle exact scheme to calculate efficiently response functions for a very broad range of applications. However, the lack of approximations valid for a range of…

Strongly Correlated Electrons · Physics 2015-05-20 Matteo Gatti

There are theories which implement the idea that the constants of nature may be "time dependent." These introduce new fields representing "evolving constants," in addition to physical fields. We argue that dynamical matter coupling…

General Relativity and Quantum Cosmology · Physics 2018-07-27 Syed Moeez Hassan , Viqar Husain , Babar Qureshi

The key element in time-dependent density functional theory is the one-to-one correspondence between the one-particle density and the external potential. In most approaches this mapping is transformed into a certain type of Sturm-Liouville…

Mathematical Physics · Physics 2011-08-01 Markus Penz , Michael Ruggenthaler

The scaling of the spatio-temporal response of coarsening systems is studied through simulations of the 2D and 3D Ising model with Glauber dynamics. The scaling functions agree with the prediction of local scale invariance, extending…

Statistical Mechanics · Physics 2016-08-31 Malte Henkel , Michel Pleimling