Results 31 to 40 of about 811,421 (270)
Time-dependent density functional theory beyond the adiabatic local density approximation [PDF]
, 1997 In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of viscoelastic stresses
A. vom Felde +24 more
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Physical Review Research, 2020 We investigate optical absorption spectra obtained through time-dependent density functional theory (TD-DFT) based on nonempirical hybrid functionals that are designed to correctly reproduce the dielectric function.
Alexey Tal +3 more
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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
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Relaxation in Time-Dependent Current-Density-Functional Theory [PDF]
Physical Review Letters, 2006 4 pages, 2 figures, Revtex4.
D'Agosta, Roberto +1 more
openaire +3 more sources
Time-dependent density-matrix functional theory for biexcitonic phenomena [PDF]
, 2010 We formulate a time-dependent density-matrix functional theory (TDDMFT) approach for higher-order correlation effects like biexcitons in optical processes in solids based on the reduced two-particle density-matrix formalism within the normal orbital ...
Carsten A. Ullrich +10 more
core +3 more sources
Beilstein Journal of Nanotechnology, 2017 Recent experimental evidence for and the theoretical confirmation of tunable edge plasmons and surface plasmons in graphene nanoribbons have opened up new opportunities to scrutinize the main geometric and conformation factors, which can be used to ...
Cristian Vacacela Gomez +3 more
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Subsystem real-time time dependent density functional theory [PDF]
The Journal of Chemical Physics, 2015 We present the extension of Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE is a DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of smaller, coupled Kohn-Sham systems.
Alisa Krishtal +2 more
openaire +4 more sources
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.
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Autoionizing resonances in time-dependent density functional theory [PDF]
Physical Chemistry Chemical Physics, 2009 Autoionizing resonances that arise from the interaction of a bound single-excitation with the continuum can be accurately captured with the presently used approximations in time-dependent density functional theory (TDDFT), but those arising from a bound double excitation cannot.
Krueger, August J., Maitra, Neepa T.
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CHIMIA, 2013 The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed.
Basile F. E. Curchod +3 more
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