A variational lower bound to the overlap for excited states

M. Cohen; T. Feldmann; R. P. McEachran

doi:10.1016/0009-2614(71)85110-2

A variational lower bound to the overlap for excited states

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

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	498-503
Number of pages	6
Journal	Chemical Physics Letters
Volume	9
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(71)85110-2
State	Published - 15 Jun 1971

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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.",

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AU - McEachran, R. P.

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AB - 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.

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A variational lower bound to the overlap for excited states

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