A variational lower bound to the overlap for excited states

M. Cohen*, T. Feldmann, R. P. McEachran

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

A new variational lower bound to the overlap between an approximate excited-state wave-function and the corresponding unknown exact eigenfunctinn is obtained. The new bound generalizes the classic lower bound of Eckart valid for a ground-state trial function. Numerical values for the helium atom show that the bounds are highly effective.

Original languageEnglish
Pages (from-to)498-503
Number of pages6
JournalChemical Physics Letters
Volume9
Issue number6
DOIs
StatePublished - 15 Jun 1971

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