English

Boundary Conditions on Internal Three-Body Wave Functions

Chemical Physics 2009-10-31 v1 Atomic Physics

Abstract

For a three-body system, a quantum wave function Ψm\Psi^\ell_m with definite \ell and mm quantum numbers may be expressed in terms of an internal wave function χk\chi^\ell_k which is a function of three internal coordinates. This article provides necessary and sufficient constraints on χk\chi^\ell_k to ensure that the external wave function Ψm\Psi^\ell_m is analytic. These constraints effectively amount to boundary conditions on χk\chi^\ell_k and its derivatives at the boundary of the internal space. Such conditions find similarities in the (planar) two-body problem where the wave function (to lowest order) has the form rmr^{|m|} at the origin. We expect the boundary conditions to prove useful for constructing singularity free three-body basis sets for the case of nonvanishing angular momentum.

Keywords

Cite

@article{arxiv.physics/9908037,
  title  = {Boundary Conditions on Internal Three-Body Wave Functions},
  author = {Kevin A. Mitchell and Robert G. Littlejohn},
  journal= {arXiv preprint arXiv:physics/9908037},
  year   = {2009}
}

Comments

41 pages, submitted to Phys. Rev. A