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We analyze the real-time electron-photon dynamics in long-range polariton-mediated energy transfer using a real-time quantum electrodynamics coupled cluster (RT-QED-CC) model, which allows for spatial and temporal visualization of transport…

Chemical Physics · Physics 2024-04-16 Matteo Castagnola , Marcus T. Lexander , Enrico Ronca , Henrik Koch

Time-domain analysis of harmonic fields with sub-cycle resolution is now experimentally viable due to the emergence of sensitive, on-chip techniques for petahertz-scale optical-field sampling. We demonstrate how such a time-domain,…

The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

The finite temperature dynamical response function including the dynamical local field is derived within a quasiparticle picture for interacting one-, two- and three dimensional Fermi systems. The correlations are assumed to be given by a…

Strongly Correlated Electrons · Physics 2009-11-07 Klaus Morawetz

We present an implementation of time-dependent density-functional theory (TDDFT) in the linear response formalism enabling the calculation of low energy optical absorption spectra for large molecules and nanostructures. The method avoids…

Various ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations exist. Particularly rich information can be obtained from measuring the properties of electrons emitted in the course of the…

Atomic and Molecular Clusters · Physics 2015-06-11 P. Wopperer , P. M. Dinh , P. -G. Reinhard , E. Suraud

The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…

Materials Science · Physics 2011-12-30 Amirullah M. Mamedov , Ekmel Ozbay

Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…

Quantum Physics · Physics 2015-05-29 Kirill Koshelev

Recent progress has been made in capturing spectral features of electronic states of double-excitation character in time-dependent density functional theory (TDDFT) through a frequency-dependent kernel. While it might appear that this…

Chemical Physics · Physics 2026-05-04 Dhyey Ray , Anna Baranova , Davood B. Dar , Neepa T. Maitra

Electronic response properties of high-energy density (HED) systems influence planetary structure, drive evolution of fusion targets, and underpin diagnostics in laboratory astrophysics. Real-time time-dependent density functional theory…

Plasma Physics · Physics 2025-11-19 Alina Kononov , Minh Nguyen , Andrew D. Baczewski

Investigating nanoplasmonics using time-dependent approaches permits shedding light on the dynamic optical properties of plasmonic structures, which are intrinsically connected with their potential applications in photochemistry and…

Mesoscale and Nanoscale Physics · Physics 2024-06-18 Piero Lafiosca , Luca Nicoli , Silvio Pipolo , Stefano Corni , Tommaso Giovannini , Chiara Cappelli

We have investigated the dipole charge- and spin-density response of few-electron two-dimensional concentric nanorings as a function of the intensity of a perpendicularly applied magnetic field. We show that the dipole response displays…

Mesoscale and Nanoscale Physics · Physics 2016-08-16 Francesc Malet , Martí Pi , Manuel Barranco , Enrico Lipparini , Llorenç Serra

We present a new class of non-adiabatic approximations in time-dependent density functional theory derived from an exact expression for the time-dependent exchange-correlation potential. The approximations reproduce dynamical step and peak…

Chemical Physics · Physics 2018-12-21 Lionel Lacombe , Neepa T. Maitra

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

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

Recent advances in ferroelectrics highlight the role of three-dimensional (3D) polar entities in forming topological polar textures and generating giant electromechanical responses, during polarization rotation. However, current electron…

Materials Science · Physics 2025-06-10 Jinho Byun , Keeyong Lee , Myoungho Jeong , Eunha Lee , Jeongil Bang , Haeryong Kim , Geun Ho Gu , Sang Ho Oh

We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that…

Atomic Physics · Physics 2012-06-28 U. De Giovannini , D. Varsano , M. A. L. Marques , H. Appel , E. K. U. Gross , A. Rubio

We study light absorption in many-electron interacting systems beyond the linear regime by using a {\em single} broadband impulse of an electric field in the instantaneous limit. We determine non-pertubatively the absorption cross section…

Chemical Physics · Physics 2021-04-20 Alberto Guandalini , Caterina Cocchi , Stefano Pittalis , Alice Ruini , Carlo Andrea Rozzi

We present a discussion of the linear thermoelectric response of an interacting electron gas in a quantizing magnetic field. Boundary currents can carry a significant fraction of the net current passing through the system. We derive general…

Condensed Matter · Physics 2009-10-28 N. R. Cooper , B. I. Halperin , I. M. Ruzin

To construct an N-representable time-dependent density-functional theory, a generalization to the time domain of the Levy-Lieb (LL) constrained search algorithm is required. That the action is only stationary in the Dirac-Frenkel…

Other Condensed Matter · Physics 2009-11-10 Morrel H. Cohen , Adam Wasserman