نتایج جستجو برای: local density approximation
تعداد نتایج: 1080868 فیلتر نتایج به سال:
Local asymptotic normality for ergodic jump-diffusion processes via transition density approximation
We show local asymptotic normality (LAN) for a statistical model of discretely observed ergodic jump-diffusion processes, where the drift coefficient, diffusion and jump structure are parametrized. Under LAN property, we can discuss efficiency regular estimators, quasi-maximum-likelihood Bayes-type estimators proposed in Shimizu Yoshida (Stat. Inference Stoch. Process. 9 (2006) 227–277) Ogihara...
We investigate the electronic structure of gap and band tail states in amorphous silicon. Starting with two 216-atom models of amorphous silicon with defect concentration close to the experiments, we systematically study the dependence of electron localization on basis set, density functional, and spin polarization using the first-principles density-functional code SIESTA. We briefly compare th...
We discuss several aspects of the dielectric response theory application to the density functional theory. This field has been an unceasing source of confusion during several decades. The most frequent reasons for this confusion are (a) uncritical tranfer of the results, especially regarding so-called local field corrections , obtained in many-body perturbation theory onto density functional th...
The exact expression for the exchange-correlation energy functional Exc@r ,jp# of the current-density functional theory ~CDFT! is derived by means of the coupling-constant integration technique. It contains the coupling-constant-averaged pair correlation function, which is a functional of the electron density r(r) and paramagnetic current density jp(r). On the basis of this expression, the loca...
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