Algebraic evaluation of matrix elements in the Laguerre function basis
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Orthogonal polynomials and functions of hypergeometric type (Jacobi, Laguerre, Hermite, Askey scheme, etc.) (33C45) Sturm-Liouville theory (34B24) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Supersymmetry and quantum mechanics (81Q60) Differential geometric methods, including holonomy, Berry and Hannay phases, Aharonov-Bohm effect, etc. in quantum theory (81Q70) Finite-dimensional groups and algebras motivated by physics and their representations (81R05)
Abstract: 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 Schroedinger 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)xSO(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.
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Cited in
(8)- Laguerre functions and representations of \(su\)(1,1)
- Realization of the dynamical group for the generalized Laguerre functions
- Applications of non-orthogonal Laguerre function basis in helium atom
- Well-behaved basis and LR arrays
- Translation matrix elements for spherical Gauss-Laguerre basis functions
- Variational method using basis functions
- Linearization and Krein-like functionals of hypergeometric orthogonal polynomials
- An algebraic approach to problems with polynomial Hamiltonians on Euclidean spaces
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