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991.
Using a density-functional method that employs linear combinations of atomic orbitals as basis sets, nonlocal norm-conserving pseudopotentials and the generalized gradient approximation for exchange and correlation, we found that at 0 K the atoms of an Fe monolayer on the Ni (111) surface occupy hcp rather than fcc sites, in keeping with previous predictions made using the ab initio all-electron full-potential linearized augmented plane wave method with the local spin density approximation. 相似文献
992.
R. Euler B. Fricke T. Morović W. -D. Sepp A. Rosén 《Zeitschrift für Physik A Hadrons and Nuclei》1980,297(2):101-104
Total energy SCF calculations were performed for noble gas difluorides in a relativistic procedure and compared with analogous non-relativistic calculations. The discrete variational method with numerical basis functions was used. Rather smooth potential energy curves could be obtained. The theoretical Kr-F and Xe-F bond distances were calculated to be 3.5 a.u. and 3.6 a.u. which should be compared with the experimental values of 3.54 a.u. and 3.7 a.u. Although the dissociation energies are off by a factor of about five it was found that ArF2 may be a stable molecule. Theoretical ionization energies for the outer levels reproduce the experimental values for KrF2 and XeF2 to within 2 eV. 相似文献
993.
We establish the convergence of the finite difference scheme for the nonlinear equations of population dynamics proposed by Guertin and MacCamy. The applicability of the discrete equations to establish qualitative properties of the solution to the continuous problem is also illustrated. 相似文献
994.
Pure adaptive search constructs a sequence of points uniformly distributed within a corresponding sequence of nested regions of the feasible space. At any stage, the next point in the sequence is chosen uniformly distributed over the region of feasible space containing all points that are equal or superior in value to the previous points in the sequence. We show that for convex programs the number of iterations required to achieve a given accuracy of solution increases at most linearly in the dimension of the problem. This compares to exponential growth in iterations required for pure random search. 相似文献
995.
Flow injection methodology based on sample insertion between two different standard solutions used as carrier streams is described. This approach provides a simple system for continuous recalibration in process control; spectrophotometric and ion-selective electrode procedures are outlined. 相似文献
996.
997.
We give general conditions on a generator of a C0-semigroup (resp. of a C0-resolvent) on Lp(E,μ), p ≥ 1, where E is an arbitrary (Lusin) topological space and μ a σ-finite measure on its Borel σ-algebra, so that it generates a sufficiently
regular Markov process on E. We present a general method how these conditions can be checked in many situations. Applications to solve stochastic differential
equations on Hilbert space in the sense of a martingale problem are given.
Dedicated to Giuseppe Da Prato on the occasion of his 70th birthday 相似文献
998.
999.
All nine elastic moduli of an orthotropic composite material, namely, polypropylene reinforced with glass fiber, are determined from the measured values of the bulk acoustic wave velocities along specific directions in the planes of symmetry of the material. These data are used to calculate the angular dependences of phase velocities, polarization vectors, and directions of ray velocities of bulk waves in the composite. It is demonstrated that the difference in the velocities of shear waves polarized along and across the glass fiber gives rise to an acoustic birefringence and can lead to an elliptical polarization of waves. The measurement of the phase velocities of shear waves as functions of the wave polarization is suggested as a method for the determination of the fiber orientation in a composite material. 相似文献
1000.
R. XuF.A. Davidson M.A.J. Chaplain 《Journal of Mathematical Analysis and Applications》2002,269(1):256-277
A two-species ratio-dependent predator-prey model with distributed time delay is investigated. It is shown that the system is persistent under some appropriate conditions, and sufficient conditions are obtained for both the local and global stability of the positive equilibrium of the system. 相似文献