A new method to reconstruct three-dimensional spatial distribution function from radial distribution function in solvation structure
نویسندگان
چکیده
منابع مشابه
A hybrid method to find cumulative distribution function of completion time of GERT networks
This paper proposes a hybrid method to find cumulative distribution function (CDF) of completion time of GERT-type networks (GTN) which have no loop and have only exclusive-or nodes. Proposed method is cre-ated by combining an analytical transformation with Gaussian quadrature formula. Also the combined crude Monte Carlo simulation and combined conditional Monte Carlo simulation are developed a...
متن کاملA New Approach to Approximate Completion Time Distribution Function of Stochastic Pert Networks
The classical PERT approach uses the path with the largest expected duration as the critical path to estimate the probability of completing a network by a given deadline. However, in general, such a path is not the most critical path (MCP) and does not have the smallest estimate for the probability of completion time. The main idea of this paper is derived from the domination structure between ...
متن کاملHard-sphere radial distribution function again.
A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint...
متن کاملRadial Distribution Function of Liquid Sodium
The radial distribution function of liquid sodium has been studied by considering the integral equation Perturbation Theory of Madden and Fitts for the reference part and the optimised cluster theory for the attractive part of the pair potential. Calculations were carried out for the long range oscillatory potential of Schiff. The calculated results are compared with the molecular dynamics calc...
متن کاملRadial distribution function of rod-like polyelectrolytes.
We study the effect of electrostatic interactions on the distribution function of the end-to-end distance of a single polyelectrolyte chain in the rod-like limit. The extent to which the radial distribution function of a polyelectrolyte is reproduced by that of a wormlike chain with an adjusted effective persistence length is investigated. Strong evidence is found for a universal scaling formul...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2005
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2137695