2016/02/01 by A. E. McCoy, M. A. Caprio
Mathematics · Physics and Astronomy · #Algebra over a field #Basis (linear algebra) #Basis function #Eigenfunction #Laguerre polynomials #Laguerre's method #Mathematical functions and polynomials #Matrix (chemical analysis) #Orthonormal basis #Orthonormality #Quantum Mechanics and Non-Hermitian Physics #Spectral Theory in Mathematical Physics #Tensor (intrinsic definition) #math-ph #math.MP
paper · pdf · doi:10.1063/1.4941327
published as J. Math. Phys. 57, 021708 (2016) · 38 pages, 3 figures; published in J. Math. Phys
openalex publication_date 2016/02/01 · arxiv created 2016/05/17 · arxiv updated 2016/05/18 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The Laguerre functions constitute one of the fundamental basis sets for calculations in atomic and molecular electron-structure theory, with applications in hadronic and nuclear theory as well. While similar in form to the Coulomb bound-state eigenfunctions (from the Schrödinger eigenproblem) or the Coulomb-Sturmian functions (from a related Sturm-Liouville problem), the Laguerre functions, unlike these former functions, constitute a complete, discrete, orthonormal set for square-integrable functions in three dimensions. We construct the SU(1, 1) × SO(3) dynamical algebra for the Laguerre functions and apply the ideas of factorization (or supersymmetric quantum mechanics) to derive shift operators for these functions. We use the resulting algebraic framework to derive analytic expressions for matrix elements of several basic radial operators (involving powers of the radial coordinate and radial derivative) in the Laguerre function basis. We illustrate how matrix elements for more general spherical tensor operators in three dimensional space, such as the gradient, may then be constructed from these radial matrix elements.