Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford Graduate Texts)

Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford Graduate Texts)


Time-dependent density-functional concept (TDDFT) describes the quantum dynamics of interacting digital many-body platforms officially precisely and in a realistic and effective demeanour. TDDFT has develop into the top strategy for calculating excitation energies and optical houses of enormous molecules, with accuracies that rival conventional wave-function established tools, yet at a fragment of the computational cost.

This publication is the 1st graduate-level textual content at the strategies and functions of TDDFT, together with many examples and routines, and broad insurance of the literature.

The e-book starts off with a self-contained overview of ground-state DFT, by way of an in depth and pedagogical therapy of the formal framework of TDDFT. it really is defined how excitation energies may be calculated from linear-response TDDFT. one of the extra complicated subject matters are time-dependent current-density-functional concept, orbital functionals, and many-body thought. Many purposes are mentioned, together with molecular excitations, ultrafast and strong-field phenomena, excitons in solids, van der
Waals interactions, nanoscale shipping, and molecular dynamics.

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