By G. Manfredi, P.-A. Hervieux, Y. Yin (auth.), Carlo Massobrio, Hervé Bulou, Christine Goyhenex (eds.)
The e-book covers various purposes of recent atomic-scale modeling of fabrics within the zone of nanoscience and nanostructured structures. via highlighting the latest achievements acquired inside of a unmarried institute, on the leading edge of fabric technology stories, the authors may be able to supply a radical description of houses on the nanoscale. The parts lined are structural selection, digital excitation behaviors, clusters on floor morphology, spintronics and disordered fabrics. for every program, the fundamentals of method are supplied, taking into account a valid presentation of techniques corresponding to density useful concept (of flooring and excited states), digital delivery and molecular dynamics in its classical and first-principles varieties. The publication is a well timed number of theoretical nanoscience contributions totally in accordance with present experimental advances.
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Extra resources for Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials
In general, although it is trivial to find the Wigner function given the wave functions that define the quantum mixture, the inverse operation is not generally feasible. Indeed, there are no simple rules to establish whether a given function of x and v is a genuine Wigner function. For a more detailed discussion on this issue, and some practical recipes to construct genuine Wigner functions, see . The Wigner function obeys the following evolution equation: ∂f ∂f +v + ∂t ∂x em 2iπ 2 dλ dv eim(v−v )λ/ φ x+ λ 2 −φ x − λ 2 f (x, v , t) = 0 , (37) where φ(x, t) is the self-consistent electrostatic potential obtained self-consistently from Poisson’s equation (33).
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Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials by G. Manfredi, P.-A. Hervieux, Y. Yin (auth.), Carlo Massobrio, Hervé Bulou, Christine Goyhenex (eds.)