On Löwdin orthogonalization
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John G. Aiken; John A. Erdos; Jerome A. Goldstein
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Article
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1980
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John Wiley and Sons
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English
⚖ 367 KB
## Abstract It is shown that the Löwdin orthogonalization gives the unique minimum for the functional ϕ measuring the least squares distance between the given orbitals and the orthogonalized orbitals. Furthermore a much stronger result is obtained, namely that ϕ has only one local minimum, which is