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    Öğe
    Generating function for rotation matrix elements
    (Wiley-Blackwell, 2012) Akdemir, S. O.; Oztekin, E.
    The rotation matrix elements are expressed in terms of the Jacobi, Hypergeometric, and Legendre polynomials in the literature. In this study, the generating function is presented for rotation matrix elements by using properties of Jacobi polynomials. In addition, some special values and Rodrigues' formula of rotation matrix elements are obtained by using the generating function. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
  • [ X ]
    Öğe
    New analytical expressions, symmetry relations and numerical solutions for the rotational overlap integrals
    (Wiley, 2012) Akdemir, S. O.; Eryilmaz, S. D.; Oztekin, E.
    In this article, extremely simple analytical formulas are obtained for rotational overlap integrals which occur in integrals over two reduced rotation matrix elements. The analytical derivations are based on the properties of the Jacobi polynomials and beta functions. Numerical results and special values for rotational overlap integrals are obtained by using symmetry properties and recurrence relationships for reduced rotation matrix elements. The final results are of surprisingly simple structures and very useful for practical applications. (c) 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012