Computer programs for the Boltzmann collision matrix elements

Abstract

When the distribution function in the kinetic theory of gases is expanded in a basis of orthogonal functions, the Boltzmann collision operators can be evaluated in terms of appropriate matrix elements. These matrix elements are usually given in terms of highly complex algebraic expressions. When Burnett functions, which consist of Sonine polynomials and spherical harmonics, are used as the basis, the irreducible tensor formalism provides expressions for the matrix elements that are algebraically simple, possess high symmetry, and are computationally more economical than in any other basis. The package reported here consists of routines to compute such matrix elements in a Burnett function basis for a mixture of hard sphere gases, as also the loss integral of a Burnett mode and the functions themselves. The matrix elements involve the Clebsch-Gordan and Brody-Moshinsky coefficients, both of which are used here for unusually high values of their arguments. For the purpose of validation both coefficients are computed using two different methods. Though written for hard sphere molecules the package can, with only slight modification, be adapted to more general molecular models as well.