Published July 28, 2004 | Version v1
Journal article

Exponential representation in the Coulomb three-body problem

  • 1. Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada)

Description

The exponential representation in the Coulomb three-body problem is considered. It is shown that the exponential variational expansion in relative coordinates r32, r31 and r21 has a number of advantages for the bound state calculations in Coulomb three-body systems. Moreover, it appears that the exponential (or Laplace-Fourier) representation of the Coulomb three-body problem is an optimal approach to analyse and solve various three-body problems. The optimization of nonlinear parameters in the trial wavefunctions is also considered. The developed methods are used to determine the highly accurate ground 11S(L = 0)-state energies and other bound state properties for a number of He-like two-electron ions (Li+, Be2+, B3+, C4+, N5+, O6+, F7+ and Ne8+). To represent the ground state energies of these He-like ions we apply the Z-1 expansion. The asymptotic form of the ground state wavefunctions at large electron-nuclear distances for the He-like ions is briefly discussed. Considered hypervirial theorems are of great interest for these ions, since they allow one to obtain some useful relations between different expectation values. The generalization of the exponential variational expansion in relative coordinates to the four-body non-relativistic systems is also considered

Availability note (English)

Available online at http://stacks.iop.org/0953-4075/37/2917/b4_14_006.pdf or at the Web site for the Journal of Physics. B, Atomic, Molecular and Optical Physics (ISSN 1361-6455) http://www.iop.org/

Additional details

Publishing Information

Journal Title
Journal of Physics. B, Atomic, Molecular and Optical Physics
Journal Volume
37
Journal Issue
14
Journal Page Range
p. 2917-2932
ISSN
0953-4075
CODEN
JPAPEH