Lower Bounds to Eigenvalues of the Schrödinger Equation. II. Application to Helium and Li+
- 15 November 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (10) , 3920-3926
- https://doi.org/10.1063/1.1701555
Abstract
The procedure developed in the preceding paper is used to calculate lower bounds to some of the low‐lying 3S levels of helium and Li+. These calculations are the first applications of the partitioning technique to the excited states of atoms. They are made using the manifolds and f=t(ε)−1/2h to construct the inner projection t(ε)′. In the latter case, a truncated reduced resolvent T0(p) was used to approximate T0. The effect that these projections have on the curves obtained by plotting the multivalued function ε′1 as a function of ε for these two cases, is also presented. The results seem to indicate that the use of the former manifold to construct t(ε)′ leads to quite close bounds for the ground states but the projection constructed using the latter manifold is better for treating the excited states. The relationships between this method and other lower bound procedures are discussed.
Keywords
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