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We propose a time-dependent approach to investigate the motion of electrons in quantum pump device configurations. The occupied one-particle states are propagated in real time and used to calculate the local electron density and current. An…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 G. Stefanucci , S. Kurth , A. Rubio , E. K. U. Gross

In this work we have studied a new functional for the correlation energy obtained from the exact-exchange (EXX) approximation within time-dependent density functional theory (TDDFT). Correlation energies have been calculated for a number of…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Maria Hellgren , Ulf von Barth

In this paper we discuss both analytically and numerically the rich quantum dynamics of the spin-boson model driven by a time-independent field of photon. Interestingly, we predict a new Rabi oscillation, whose period is inversely…

Quantum Physics · Physics 2011-07-20 Qifeng Liang , Lixian Yu , Gang Chen , Suotang Jia

Recent experiments have revealed the tantalizing possibility of fabricating lattice electronic systems strongly coupled to quantum fluctuations of electromagnetic fields, e.g., by means of geometry confinement from a cavity or artificial…

Strongly Correlated Electrons · Physics 2022-05-03 Jiajun Li , Lukas Schamriß , Martin Eckstein

By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…

Materials Science · Physics 2009-11-07 Koichi Kusakabe

Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…

Materials Science · Physics 2009-11-10 A. Rebei , W. N. G. Hitchon

We resolve a fundamental issue associated with the conventional Kohn-Sham formulation of real-time time-dependent density functional theory. We show that unphysical multielectron excitations, generated during time propagation of the…

Computational Physics · Physics 2020-01-16 Xiaoning Zang , Udo Schwingenschlogl , Mark T. Lusk

Room temperature cavity quantum electrodynamics with molecular materials in optical cavities offers exciting prospects for controlling electronic, nuclear and photonic degrees of freedom for applications in physics, chemistry and materials…

Quantum Physics · Physics 2025-01-15 Felipe Herrera , William L. Barnes

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…

Strongly Correlated Electrons · Physics 2008-11-21 S. Pittalis , E. Rasanen , M. Marques

A fundamental property of a quantum system driven by an external field is that when the field is turned off the positions of its response frequencies are independent of the time at which the field is turned off. We show that this leads to…

Chemical Physics · Physics 2015-05-29 Johanna I. Fuks , Kai Luo , Ernesto D. Sandoval , Neepa T. Maitra

The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional…

Other Condensed Matter · Physics 2015-06-25 S. Rigamonti , C. R. Proetto , F. A. Reboredo

We study the quantum Rabi model within the framework of the analytical solution developed in Phys. Rev. Lett. 107,100401 (2011). In particular, through time-dependent correlation functions, we give a quantitative criterion for classifying…

We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…

Strongly Correlated Electrons · Physics 2010-06-30 E. Rasanen , S. Pittalis , J. G. Vilhena , M. A. L. Marques

We derive and analyze a hierarchy of approximations to the strongly correlated limit of the Hohenberg-Kohn functional. These "density representability approximations" are obtained by first noting that in the strongly correlated limit,…

Chemical Physics · Physics 2013-10-25 Gero Friesecke , Christian B. Mendl , Brendan Pass , Codina Cotar , Claudia Klüppelberg

The frequency-dependent exchange-correlation potential, which appears in the usual Kohn-Sham formulation of a time-dependent linear response problem, is a strongly nonlocal functional of the density, so that a consistent local density…

Condensed Matter · Physics 2009-10-28 G. Vignale , Walter Kohn

Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…

Strongly Correlated Electrons · Physics 2010-06-22 E. Rasanen , S. Pittalis , C. R. Proetto

The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energues from time-dependent density functional theory is studied. Excitation energies of the He and Be atoms are…

Materials Science · Physics 2007-05-23 Martin Petersilka , E. K. U. Gross , Kieron Burke

The existence of zero-dimensional superradiant quantum phase transitions seems inconsistent with conventional statistical physics. This work clarifies this apparent inconsistency. We demonstrate the corresponding effective field theories…

Quantum Physics · Physics 2024-05-07 Zi-Yong Ge , Heng Fan , Franco Nori

We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead, in time-dependent density functional theory. Based on this system, we develop a…

Mesoscale and Nanoscale Physics · Physics 2018-04-18 Niklas Dittmann , Janine Splettstoesser , Nicole Helbig

With the aim of progressing toward a practical implementation of an effective quantum-electrodynamics (QED) theory of atoms and molecules, which includes the effects of vacuum polarization through the creation of virtual electron-positron…

Quantum Physics · Physics 2025-03-11 Timothée Audinet , Umberto Morellini , Antoine Levitt , Julien Toulouse