Results 231 to 240 of about 124,317 (258)

Time-Dependent Density Functional Theory for Spin Dynamics

2018
With the development of ultrashort sub-picosecond laser pulses, the last two decades have witnessed the emergence of a new field of magnetism, namely, femtomagnetism. This consists of controlling the magnetic interactions by using purely optical stimuli at sub-picosecond timescales, where both the exchange interaction and the magnetic anisotropy cannot
Elliott, P., Stamenova, M., Simoni, J., Sharma, S., Sanvito, S., Gross, E.   +5 more
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Current-density-functional theory for time-dependent systems

Physical Review A, 1985
It is proved that the mapping, time-dependent potential \ensuremath{\rightarrow} time-dependent density, is not invertible, in general, over the class of all potentials expandable in a Taylor series with respect to time coordinates. However, an invertible mapping does exist between the time-dependent potential and time-dependent current density.
, Xu, , Rajagopal
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Time-Dependent Density-Functional Theory

1998
The static Kohn-Sham theory of many-particle systems is basically unsuitable for the description of time-dependent electronic phenomena. (The few exceptions rely on the approximate description of electronic excitation energies, a procedure fraught with difficulties as described in a previous chapter.) In this chapter we introduce the time-dependent ...
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Causality and Symmetry in Time-Dependent Density-Functional Theory

Physical Review Letters, 1998
We resolve an existing paradox regarding the causality and symmetry properties of response functions within time-dependent density-functional theory. We do this by defining a new action functional within the Keldysh formalism. By functional differentiation the new functional leads to response functions which are symmetric in the Keldysh time contour ...
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Time-Dependent Density-Functional Theory for Superconductors

Physical Review Letters, 1994
, Wacker, , Kümmel, , Gross
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An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

Journal of Chemical Physics, 1998
Scuseria Gustavo E
exaly  

Time-dependent density functional theory for molecules in liquid solutions

Journal of Chemical Physics, 2001
Vincenzo Barone, Maurizio Cossi, Barone Vincenzo   +2 more
exaly  

Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model

Journal of Chemical Physics, 2006
Vincenzo Barone, Benedetta Mennucci, Giovanni Scalmani   +2 more
exaly  

Perspective: Fundamental aspects of time-dependent density functional theory

Journal of Chemical Physics, 2016
Neepa Maitra, Maitra Neepa T
exaly  

Time-dependent density-functional theory for multicomponent systems

Physical Review A, 1986
, Li, , Tong
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