Abstract
The conditions, which have been discussed in two previous papers, for the antisymmetrization of a geminal-sum wave function have been applied, in a numerical example, to the calculation of the density matrix and energy of the three-electron ion . The consequences of imposing spin symmetry upon the wave function and the effects of relaxing the antisymmetrization procedure are both discussed. A ground-state energy of -14.3024 a.u., some 0.2% above the "experimental energy," is obtained, and the corresponding density matrix given.
- Received 6 March 1968
DOI:https://doi.org/10.1103/PhysRev.173.69
©1968 American Physical Society