Fusion using time-dependent density-constrained DFT

Density-Constrained Time-Dependent Hartree-Fock Calculation of O+Pb Fusion Cross-Sections

We present a fully microscopic study of the O+Pb fusion using the density-constrained time-dependent Hartree-Fock theory. The calculated fusion cross-sections are in good agreement with the experimental data for the entire energy range indicating that the incorporation of dynamical effects is crucial in describing heavy-ion fusion. PACS. 21.60.Jz Nuclear Density Functional Theory and extensions...

Conical Intersections using Constrained DFT- Configuration Interaction

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Excitonic effects in bulk CuBr using Time Dependent DFT

With a view towards studying the effect of lowering the dimensionality on excitons, we have first investigated the excitonic effects in bulk CuBr, which is a direct band-gap semiconductor with zinc blende structure. We have employed time-dependent density functional theory for this investigation. Both, the random phase approximation and the bootstrap approximation, for the exchange-correlation ...

Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain.

The logical structure and 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). It is shown that the formalism of TDDefFT allows to avoid a traditional external potential-to-density/current mapping. Instead the theory is formulated in a form sim...

Short Course on Density Functional Theory and Applications VIII. Time-dependent DFT