Kinetic energy operator approach to the quantum three-body problem with Coulomb interactions

摘要

We present a non-variational approach to the solution of the quantum three-body problem, based on the decomposition of the three-body Laplacian operator through the use of its intrinsic symmetries. With the judicious choice of angular momentum eigenfunctions, a clean separation of spatial rotation from kinematic rotation is achieved, leading to a finite set of coupled PDEs in terms of the canonical variables. Numerical implementation of this approach to the three-body Coulomb problem is shown to yield accurate ground state eigenvalues and wavefunctions, together with those of low-lying excited states. We present results on some typical three-body systems. In particular, the eigenvalues and wavefunctions of the even-parity (3)p(e) state of the negative hydrogen ion are detailed for the first time. The issue of computational efficiency is also briefly discussed. (c) 2006 Elsevier Ltd. All rights reserved.