Toward quantum-chemical method development for arbitrary basis functions

Wigner Functions for Arbitrary Quantum Systems.

The possibility of constructing a complete, continuous Wigner function for any quantum system has been a subject of investigation for over 50 years. A key system that has served to illustrate the difficulties of this problem has been an ensemble of spins. Here we present a general and consistent framework for constructing Wigner functions exploiting the underlying symmetries in the physical sys...

Thermal Development for Ducts of Arbitrary Cross Sections by Boundary-Fitted Coordinate Transformation Method

The non-orthogonal boundary-fitted coordinate transformation method is applied to the solution of steady three-dimensional momentum and energy equations in laminar flow to obtain temperature field and Nusselt numbers in the thermal entry region of straight ducts of different cross sectional geometries. The conservation equations originally written in Cartesian coordinates are parabolized in the...

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...

The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in R3 using the RBF method. We present three RBF-based methods that e...

The Chemical Basis of Development