Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Bulletin of the American Physical Society

TDDFT in Phase-Space

Arun K. Rajam, Christian Gaun, Neepa T. Maitra

Published Mar 12, 2008• 0 citations
OpenAlex

Related papers

Exact Conditions and Their Relevance in TDDFT

Lucas O. Wagner, Zeng-hui Yang, Kieron Burke

Lecture notes in physics•Jan 1, 2012•6 citations

Investigating interaction-induced chaos using time-dependent density-functional theory

Adam Wasserman, Neepa T. Maitra, Eric J. Heller

Systems whose underlying classical dynamics are chaotic exhibit signatures of the chaos in their quantum mechanics. We investigate the possibility of using the linear response formalism of time-dependent density functional theory (TDDFT) to study the case when chaos is induced by electron-interaction alone. Nearest-neighbor level-spacing statistics are in principle exactly and directly accessible from TDDFT. We discuss how the TDDFT linear response procedure can reveal information about the mechanism of chaos induced by electron-interaction alone. A simple model of a two-electron quantum dot highlights the necessity to go beyond the adiabatic approximation in TDDFT.

arXiv:0706.2417•Physical Review A•Apr 1, 2008•5 citations

Electron thermalization in TDDFT and Ehrenfest molecular dynamics

Tobias Zier, Uday Panta, David A. Strubbe

A non-equilibrium electronic state will, in general, thermalize toward an equilibrium state due to electron-electron interactions as well as interactions with ions. The description of such processes has remained unclear and controversial in time-dependent density functional theory (TDDFT), given that the occupation numbers remain fixed over time and that adiabatic functionals do not include explicit dissipation. Here, we study the explicit time propagation of graphene after ultrafast laser pulses, using the Octopus real-space code, with and without ionic motion in Ehrenfest molecular dynamics. This work has implications for the treatment of statistical mechanics in a TDDFT framework.

Advances in Ultrafast Condensed Phase Physics•May 26, 2026•0 citations

Wigner's phase-space density

Daniel Lagolnitzer

Nature•Aug 23, 1984•2 citations

Phase Space Description

Miguel Orszag

Springer eBooks•Jan 1, 2024•0 citations

Quasiparticle density-matrix representation of nonlinear time-dependent density-functional response functions

Oleg L. Berman, Shaul Mukamel

The time-dependent density-functional (TDDFT) equations may be written either for the Kohn-Sham orbitals in Hilbert space or for the single-electron density matrix in Liouville space. A collective-oscillator, quasiparticle, representation of the density response of many-electron systems which explicitly reveals the relevant electronic coherence sizes is developed using the Liouville-space representation of adiabatic TDDFT. Closed expressions for the nonlinear density-density response are derived, eliminating the need to solve nonlinear integral equations, as required in the Hilbert-space formulation of the response.

arXiv:cond-mat/0301131•Physical Review A•Apr 15, 2003•22 citations
Systems whose underlying classical dynamics are chaotic exhibit signatures of the chaos in their quantum mechanics. We investigate the possibility of using the linear response formalism of time-dependent density functional theory (TDDFT) to study the case when chaos is induced by electron-interaction alone. Nearest-neighbor level-spacing statistics are in principle exactly and directly accessible from TDDFT. We discuss how the TDDFT linear response procedure can reveal information about the mechanism of chaos induced by electron-interaction alone. A simple model of a two-electron quantum dot highlights the necessity to go beyond the adiabatic approximation in TDDFT.
A non-equilibrium electronic state will, in general, thermalize toward an equilibrium state due to electron-electron interactions as well as interactions with ions. The description of such processes has remained unclear and controversial in time-dependent density functional theory (TDDFT), given that the occupation numbers remain fixed over time and that adiabatic functionals do not include explicit dissipation. Here, we study the explicit time propagation of graphene after ultrafast laser pulses, using the Octopus real-space code, with and without ionic motion in Ehrenfest molecular dynamics. This work has implications for the treatment of statistical mechanics in a TDDFT framework.
The time-dependent density-functional (TDDFT) equations may be written either for the Kohn-Sham orbitals in Hilbert space or for the single-electron density matrix in Liouville space. A collective-oscillator, quasiparticle, representation of the density response of many-electron systems which explicitly reveals the relevant electronic coherence sizes is developed using the Liouville-space representation of adiabatic TDDFT. Closed expressions for the nonlinear density-density response are derived, eliminating the need to solve nonlinear integral equations, as required in the Hilbert-space formulation of the response.