Solitons in Nuclear Time-Dependent Density Functional Theory [PDF]
Frontiers in Physics, 2020 The soliton existence in sub-atomic many-nucleon systems is discussed. In many nucleon dynamics represented by the nuclear time-dependent density functional formalism, much attention is paid to energy and mass dependence of the soliton existence. In conclusion, the existence of nuclear soliton is clarified if the temperature of nuclear system is from ...
openaire +3 more sources
Electron scattering in time-dependent density functional theory [PDF]
The European Physical Journal B, 2018 9 pages, 6 ...
Lionel Lacombe +3 more
openaire +3 more sources
Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations. [PDF]
Journal of Chemical Theory and Computation, 2017 Electronic excitations can be efficiently analyzed in terms of the underlying Kohn-Sham (KS) electron-hole transitions. While such a decomposition is readily available in the linear-response time-dependent density-functional theory (TDDFT) approaches ...
Tuomas P. Rossi +4 more
semanticscholar +1 more source
Nonlinear polarization evolution using time-dependent density functional theory
, 2018 We propose a theoretical and computational approach to investigate temporal behavior of a nonlinear polarization in perturbative regime induced by an intense and ultrashort pulsed electric field.
Kuwabara, Yuki +3 more
core +1 more source
Time-dependent current density functional theory via time-dependent deformation functional theory: A constrained search formulation in the time domain [PDF]
, 2009 The logical structure and the basic theorems of time-dependent current density functional theory (TDCDFT) are analyzed and reconsidered from the point of view of recently proposed time-dependent deformation functional theory (TDDefFT).
Tokatly, I. V.
core +3 more sources
Journal of Chemical Theory and Computation, 2020 Computing integrals over orbital pairs is one of the most costly steps in many popular first-principles methods used by the quantum chemistry and condensed matter physics community.
Weiwei Gao, J. Chelikowsky
semanticscholar +1 more source
Long-range excitations in time-dependent density functional theory
, 2006 Adiabatic time-dependent density functional theory fails for excitations of a heteroatomic molecule composed of two open-shell fragments at large separation.
Almbladh C. O. +3 more
core +1 more source
Time-dependent density functional theory for open spin chains [PDF]
, 2011 The application of methods of time-dependent density functional theory (TDDFT) to systems of qubits provided the interesting possibility of simulating an assigned Hamiltonian evolution by means of an auxiliary Hamiltonian having different two-qubit ...
de Falco, Diego, Tamascelli, Dario
core +2 more sources
Stochastic Time-Dependent Current-Density-Functional Theory
Physical Review Letters, 2007 4 pages, no figure, RevTex4, final ...
Roberto D'Agosta, Massimiliano Di Ventra
openaire +4 more sources
Time-Dependent Density Functional Theory of Classical Fluids [PDF]
Physical Review Letters, 2005 We establish a rigorous time-dependent density functional theory of classical fluids for a wide class of microscopic dynamics. We obtain a stationary action principle for the density. We further introduce an exact practical scheme, to obtain hydrodynamical effects in density evolution, that is analogous to the Kohn-Sham theory of quantum systems ...
Chan, Garnet Kin-Lic, Finken, Reimar
openaire +5 more sources