Family of Oxygen–Oxygen Radial Distribution Functions for Water

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Quantum distribution functions for radial observables

The Wigner quasi-probability distribution function is a familiar tool to many working in quantum and atom optics [1]. It is primarily used in the classical-quantum correspondence where the appearance of positive and negative regions of the Wigner function gives easily understood information concerning the probability concentrations and quantum interferences present within the quantum state [2]....

متن کامل

Determination of accurate, mean bond lengths from radial distribution functions.

The mean bond length d between a central atom and its nearest neighbors can be estimated from the position of the first peak in the radial distribution function g(r). However, as we demonstrate here, this estimate does not allow one to deduce temperature-induced changes in d. Instead, skewness has to be included into the analysis, which can be achieved, for example, via the skew normal distribu...

متن کامل

The use of inverse quadratic radial basis functions for the solution of an inverse heat problem

‎In this paper‎, ‎a numerical procedure for an inverse problem of‎ ‎simultaneously determining an unknown coefficient in a semilinear ‎parabolic equation subject to the specification of the solution at‎ ‎an internal point along with the usual initial boundary conditions ‎is considered‎. ‎The method consists of expanding the required‎ ‎approximate solution as the elements of the inverse quadrati...

متن کامل

The method of radial basis functions for the solution of nonlinear Fredholm integral equations system.

In this paper, An effective and simple numerical method is proposed for solving systems of integral equations using radial basis functions (RBFs). We present an algorithm based on interpolation by radial basis functions including multiquadratics (MQs), using Legendre-Gauss-Lobatto nodes and weights. Also a theorem is proved for convergence of the algorithm. Some numerical examples are presented...

متن کامل

ذخیره 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 Physical Chemistry Letters

سال: 2015

ISSN: 1948-7185

DOI: 10.1021/acs.jpclett.5b01066