Lower-Bound Procedure for Energy Eigenvalues by the Partitioning Technique
- 15 December 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (12) , 4425-4433
- https://doi.org/10.1063/1.1727521
Abstract
A lower‐bound procedure for obtaining energy eigenvalues by use of the partitioning technique and bracketing theorem, which have been developed by Löwdin, is extended to the case of a multidimensional reference manifold and is applied to the ground state of the two‐electron isoelectronic series. Except for H−, the agreement between upper and lower bounds is quite satisfactory. The process of obtaining lower bounds for excited states is considered.Keywords
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