English

Addition Theorems as Three-Dimensional Taylor Expansions. II. $B$ Functions and Other Exponentially Decaying Functions

Mathematical Physics 2007-05-23 v1 math.MP

Abstract

Addition theorems can be constructed by doing three-dimensional Taylor expansions according to f(r+r)=exp(r)f(r)f (\mathbf{r} + \mathbf{r}') = \exp (\mathbf{r}' \cdot \mathbf{\nabla}) f (\mathbf{r}). Since, however, one is normally interested in addition theorems of irreducible spherical tensors, the application of the translation operator in its Cartesian form exp(x/x)exp(y/y)exp(z/z)\exp (x' \partial /\partial x) \exp (y' \partial /\partial y) \exp (z' \partial /\partial z) would lead to enormous technical problems. A better alternative consists in using a series expansion for the translation operator exp(r)\exp (\mathbf{r}' \cdot \mathbf{\nabla}) involving powers of the Laplacian 2\mathbf{\nabla}^2 and spherical tensor gradient operators Ym()\mathcal{Y}_{\ell}^{m} (\nabla), which are irreducible spherical tensors of ranks zero and \ell, respectively [F.D.\ Santos, Nucl. Phys. A {\bf 212}, 341 (1973)]. In this way, it is indeed possible to derive addition theorems by doing three-dimensional Taylor expansions [E.J. Weniger, Int. J. Quantum Chem. {\bf 76}, 280 (2000)]. The application of the translation operator in its spherical form is particularly simple in the case of BB functions and leads to an addition theorem with a comparatively compact structure. Since other exponentially decaying functions like Slater-type functions, bound-state hydrogenic eigenfunctions, and other functions based on generalized Laguerre polynomials can be expressed by simple finite sums of BB functions, the addition theorems for these functions can be written down immediately.

Keywords

Cite

@article{arxiv.math-ph/0109011,
  title  = {Addition Theorems as Three-Dimensional Taylor Expansions. II. $B$ Functions and Other Exponentially Decaying Functions},
  author = {Ernst Joachim Weniger},
  journal= {arXiv preprint arXiv:math-ph/0109011},
  year   = {2007}
}

Comments

17 pages, LaTeX2e, 0 figures. Submitted to the Per-Olof L\"owdin Honorary Volume, International Journal of Quantum Chemistry