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31.
32.
We present a simplified computational scheme in order to calculate the effects of electron correlations on the energy bands of diamond and silicon. By adopting a quasiparticle picture we compute first the relaxation and polarization effects around an electron set into a conduction-band Wannier orbital. This is done by allowing the valence orbitals to relax within a self-consistent field (SCF) calculation. The diagonal matrix element of the Hamiltonian leads to a shift of the center of gravity of the conduction band while the off-diagonal matrix elements result in a small reduction of the conduction-electron bandwidth. This calculation is supplemented by the computation of the loss of ground-state correlations due to the blocked Wannier orbital into which the added electron has been placed. The same procedure applies to the removal of an electron, i.e., to the valence bands. But the latter have been calculated previously in some detail and previous results are used to estimate the energy gap in the two materials. The numerical data reported here show that the methods works, in principle, but that some extension of the scheme is also necessary to obtain fully satisfactory results.Dedicated to J.-P. Malrieu on the occasion of his 60th birthday 相似文献
33.
B. D. Kabulov K. A. Akhundzhanov F. U. Yunusov O. A. Shpigun S. S. Negmatov 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2007,81(3):354-356
The hydrolytic polycondensation of tetraethoxysilane in the presence of various polymers (polyacrylonitrile, polycaproamide, and chitosan) as templates was performed with the use of the sol-gel technology to obtain nanohybrid composite polymer-silica sorbents-nanofractals. 相似文献
34.
35.
We study the corrections to the Clausius-Mossotti formula for the dielectric constant of a disordered system of polarizable spherical particles. Previously we have derived an exact cluster expansion for the correction terms. Here we study the three-body correction in detail. We derive an explicit expression for the integrand of the three-body cluster integral for a system of polarizable point dipoles. 相似文献
36.
We prove a conjecture by F. Ferrari. Let X be the total space of a nonlinear deformation of a rank two holomorphic vector bundle on a smooth rational curve, such that X has trivial canonical bundle and has sections. Then the normal bundle to such sections is computed in terms of the rank of the Hessian of a suitably defined superpotential at its critical points. 相似文献
37.
Hyperfine Interactions - In this paper, the conditions for which three-dimensional crystalline ion beams were attained in the rf quadrupole storage ring PALLAS at a velocity of around 2800 m/s are... 相似文献
38.
Ledzewicz U. Nowakowski A. Schättler H. 《Journal of Optimization Theory and Applications》2004,122(2):345-370
It is shown that, if a parametrized fämily of extremals F can be stratified in a way compatible with the flow map generated by F, then those trajectories of the family which realize the minimal values of the cost in F are indeed optimal in comparison with all trajectories which lie in the region R covered by the trajectories of F. It is not assumed that F is a field covering the state space injectively. As illustration, an optimal synthesis is constructed for a system where the flow of extremals exhibits a simple cusp singularity. 相似文献
39.
This paper models a decision where a player must allocate limitedenergy over a contest of uncertain length. The motivating exampleis a squash match where one of the players is not as fit asthe other. Should a player's energy be concentrated in the earlygames of the match? Should it be spread evenly over all possiblegames? Or should it be conserved for the end of the match? Wemodel this as a decision problem where, in each game, the decision-makermust determine how much energy to expend. We assume that thereare only a small number of discrete energy choices for eachgame and that the more energy the decision-maker expends, themore likely he is to win that game. We solve for the optimaldecision with dynamic programming. With only two possible energychoices for each game, we show that it does not matter how energyis expended. In the case where there are three or more energychoices, we show how to take advantage of the structure of theproblem to determine the optimal sequence of decisions. As forpractical advice, the model suggests that when the decision-makerfalls behind in a match, he ought to switch to a more conservativeapproach by dividing his remaining energy evenly among all thepossible remaining games.
Received 14 May 2003. Revised 5 January 2004. 相似文献
40.
L. K. Seah U. S. Dinish S. K. Ong Z. X. Chao V. M. Murukeshan 《Optics & Laser Technology》2004,36(5):371-376
Imaging of latent fingerprints using time-resolved (TR) method offers a broader platform to eliminate the unwanted background emission. In this paper, a novel TR imaging technique is demonstrated and implemented, which facilitates the detection of latent fingerprints with nanosecond resolution. Simulated experiments were carried out with two overlapping fingerprints treated with two fluorescent powders having different lifetimes in nanosecond range. The dependence of the fluorescence emission intensity in nanosecond resolution of TR imaging is also revealed. 相似文献