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71.
Madalina Deaconu Nicolas Fournier Etienne Tanré 《Methodology and Computing in Applied Probability》2003,5(2):131-158
By continuing the probabilistic approach of Deaconu et al. (2001), we derive a stochastic particle approximation for the Smoluchowski coagulation equations. A convergence result for this model is obtained. Under quite stringent hypothesis we obtain a central limit theorem associated with our convergence. In spite of these restrictive technical assumptions, the rate of convergence result is interesting because it is the first obtained in this direction and seems to hold numerically under weaker hypothesis. This result answers a question closely connected to the Open Problem 16 formulated by Aldous (1999). 相似文献
72.
S. F. Chekmarev R. Mitri V. Bonaci-Koutecký 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,24(1-3):45-48
The ab initio molecular
dynamics (AIMD) [1] is combined with the heuristic, successive
confinement method of surveying a potential energy surface (PES)
[2], thereby offering a framework for the simulation study of
kinetics and equilibrium properties of metallic clusters. This
approach is applied to the study of Au4,
a cluster possessing a simple but specific PES, which consists
of very shallow and deep basins and due to this presents a
challenge to the conventional AIMD methods. Among other things,
the probabilities of the transitions between isomers have been
found, and on this basis, both the time-dependent and
equilibrium populations of the isomers have been calculated for
the conditions typical of the NeNePo experiments [3] in the
femtosecond pump-probe spectroscopy. 相似文献
73.
本文讨论延迟微分方程单支方法的非线性稳定性 .对于 Kα,β,γ类非线性延迟微分方程 ,我们证明带有线性插值的 G( c,p,q) -代数稳定的单支方法当 c≤ 1时是 GR( p/2 ,q/2 ) -稳定及弱 GAR( p/2 ,q/2 ) -稳定的 ,当 c<1时是 GAR( p/2 ,q/2 ) -稳定的 .最后的数值试验表明了上述结论的正确性 . 相似文献
74.
Periodica Mathematica Hungarica - 相似文献
75.
N. A. Anikin A. S. Mendkovich M. B. Kuzminskiy A. M. Andreev 《Russian Chemical Bulletin》2008,57(2):428-430
A new fast computational method for mass calculations of docking complexes by the AM1/PM3 semiempirical methods is proposed.
The computation time is shortened by at least an order of magnitude compared to alternative schemes of quantum chemical calculations.
The root-mean-square deviation of the AM1 calculated energies of formation of complexes from the results obtained by conventional
diagonalization procedure is at most 0.4 kcal mol−1.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 418–420, February, 2008. 相似文献
76.
In this paper an automatic technique for handling discontinuous IVPs when they are solved by means of adaptive Runge–Kutta codes is proposed. This technique detects, accurately locates and passes the discontinuities in the solution of IVPs by using the information generated by the code along the numerical integration together with a continuous interpolant of the discrete solution. A remarkable feature is that it does not require additional information on the location of the discontinuities. Some numerical experiments are presented to illustrate the reliability and efficiency of the proposed algorithms. 相似文献
77.
M. A. Noor 《Journal of Optimization Theory and Applications》2004,121(2):385-395
In this paper, we suggest and analyze some iterative methods for solving nonconvex variational inequalities using the auxiliary principle technique, the convergence of which requires either only pseudomonotonicity or partially relaxed strong monotonicity. Our proofs of convergence are very simple. As special cases, we obtain earlier results for solving general variational inequalities involving convex sets. 相似文献
78.
Ahilleas N. Maurellis Rüdiger Lang Jochen Landgraf 《Journal of Quantitative Spectroscopy & Radiative Transfer》2004,84(3):295-323
The computation of radiation transmittance in nongray, inhomogeneous atmospheric models is frequently complicated by complex bands of line spectra which range in value over many orders of magnitudes and depend strongly on either or both of pressure and temperature. We present here a new opacity sampling technique which is shown to determine correctly the wavelength-averaged extinction due to path-dependent realizations of banded line spectra. The technique is easy to implement computationally and is applicable to a wide variety of atmospheric problems in which frequent iteration of the radiative transfer model is required. We consider two such instances: modeling of solar flux attenuation for use in a time-dependent planetary ionosphere model and retrieval from nadir measurements of backscattered solar irradiance. The power of the new method lies in its straightforward analytical treatment of both atmospheric inhomogeneity and spectral complexity. It is thus relevant for both retrieval and radiative transfer modeling purposes. 相似文献
79.
Yirang Yuan 《Numerical Methods for Partial Differential Equations》2003,19(5):665-681
For the coupled system of multilayer fluid dynamics in porous media, the modified characteristic finite difference fractional steps method applicable to parallel arithmetic is put forward and two‐dimensional and three‐dimensional schemes are used to form a complete set. Some techniques, such as calculus of variations, energy method, piecewise biquadratic interpolation, multiplicative commutation rule of difference operators, decomposition of high order difference operators and prior estimates are adopted. Optimal order estimates in L2 norm are derived to determine the error in the approximate solution. This method has already been applied to the numerical simulation of multilayer fluid dynamics in porous media. © 2003 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 19: 665–681, 2003. 相似文献
80.
Shoufu Li 《中国科学A辑(英文版)》2003,46(5):662-674
B-stability andB-convergence theories of Runge-Kutta methods for nonlinear stiff Volterra functional differential equations (VFDEs) are established
which provide unified theoretical foundation for the study of Runge-Kutta methods when applied to nonlinear stiff initial
value problems (IVPs) in ordinary differential equations (ODEs), delay differential equations (DDEs), integro-differential
equations (IDEs) and VFDEs of other type which appear in practice. 相似文献