Suggested Reading
A detailed discussion of the polar and the QR deompositions may be found in H Helson, Linear Algebra, TRIM 4, Hindustan Book Agency, 1994.
A more advanced treatment of matrix approximation problems may be found in R Bhatia, Matrix Analysis, Springer-Verlag, 1997.
The relevance of matrix approximation problems to quantum chemistry is explained in the article by J A Goldstein and M Levy, Linear algebra and quantum chemistry, American Math. Monthly, 78, 710–718, 1991.
The Löwdin Orthogonalisation was proposed by P O Löwdin, On the non-orthogonality problem connected with the use of atomic wave functions in the theory of molecules and crystals, J. Chem. Phys., 18, 365–374, 1950.
Algorithms for finding the QR and the Singular Value Decompositions are discussed in G Golub and C Van Loan, Matrix Computations, The Johns Hopkins University Press, 1983.
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Bhatia, R. Orthogonalisation of vectors. Reson 5, 52–59 (2000). https://doi.org/10.1007/BF02838999
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DOI: https://doi.org/10.1007/BF02838999