2 resultados para Linear functionals

em QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast


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Let $E$ be a nonnormable Frechet space, and let $E'$ be the space of all continuous linear functionals on $E$ in the strong topology. A continuous mapping $f : E' \to E'$ such that for any $t_0\in R$ and $x_0\in E'$, the Cauchy problem $\dot x= f(x)$, x(t_0) = x_0$ has no solutions is constructed.

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We calculated the frequency dependent macroscopic dielectric function and second-harmonic generation of cubic ZnS, ZnSe and ZnTe within time-dependent density-polarisation functional theory. The macroscopic dielectric function is calculated in a linear response framework, and second-harmonic generation in a real-time framework. The macroscopic exchange–correlation electric field that enters the time-dependent Kohn–Sham equations and accounts for long range correlation is approximated as a simple polarisation functional αP, where P is the macroscopic polarisation. Expressions for α are taken from the recent literature. The performance of the resulting approximations for the exchange–correlation electric field is analysed by comparing the theoretical spectra with experimental results and results obtained at the levels of the independent particle approximation and the random-phase approximation. For the dielectric function we also compare with state-of-the art calculations at the level of the Bethe–Salpeter equation.