Results 11 to 20 of about 692,789 (165)
Progress in Time-Dependent Density-Functional Theory [PDF]
Annual Review of Physical Chemistry, 2012 The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s is based on the idea that the complicated N-electron wave function can be replaced with the mathematically simpler 1-electron charge density in electronic structure calculations of the ground stationary state.
Casida, M. E., Huix-Rotllant, M.
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Excitations in Time-Dependent Density-Functional Theory [PDF]
Physical Review Letters, 2003 An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not.
E. K. U. Gross +3 more
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Time-dependent density-functional theory for superfluids [PDF]
Europhysics Letters (EPL), 2001 A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions. After outlining parallelisms between a neutral superfluid and a charged superconductor, Hohenberg-Kohn-Sham-type theorems are proved for gauge-invariant densities and a set of Bogolubov ...
CHIOFALO, MARIA LUISA, Tosi MP
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Time-dependent density functional theory on a lattice [PDF]
Physical Review B, 2012 A time-dependent density functional theory (TDDFT) for a quantum many-body system on a lattice is formulated rigorously. We prove the uniqueness of the density-to-potential mapping and demonstrate that a given density is $v$-representable if the initial many-body state and the density satisfy certain well defined conditions. In particular, we show that
Ilya V. Tokatly, Mehdi Farzanehpour
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Density-potential mapping in time-dependent density-functional theory [PDF]
Physical Review A, 2010 The key questions of uniqueness and existence in time-dependent density functional theory are usually formulated only for potentials and densities that are analytic in time. Simple examples, standard in quantum mechanics, lead however to non-analyticities.
Maitra, N.T. +3 more
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Conserving approximations in time-dependent density functional theory [PDF]
Physical Review B, 2005 In the present work we propose a theory for obtaining successively better approximations to the linear response functions of time-dependent density or current-density functional theory. The new technique is based on the variational approach to many-body perturbation theory (MBPT) as developed during the sixties and later expanded by us in the mid ...
von Barth, U +3 more
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Time-dependent density-functional theory for open systems [PDF]
Physical Review B, 2007 16 pages, 12 ...
Chen, G +4 more
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Pairing Dynamics and Time-dependent Density Functional Theory [PDF]
Acta Physica Polonica B, 2018 11 ...
Kazuyuki Sekizawa +2 more
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Time-dependent current density functional theory on a lattice [PDF]
Physical Review B, 2011 A rigorous formulation of time-dependent current density functional theory (TDCDFT) on a lattice is presented. The density-to-potential mapping and the ${\cal V}$-representability problems are reduced to a solution of a certain nonlinear lattice Schr dinger equation, to which the standard existence and uniqueness results for nonliner differential ...
E. A. Coddington, I. V. Tokatly
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Demonstration of initial-state dependence in time-dependent density-functional theory [PDF]
, 2001 Time-dependent density functionals in principle depend on the initial state of the system, but this is ignored in functional approximations presently in use.
Neepa T. Maitra, Kieron Burke
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