Abstract.
We present a matrix diagonalization method where the diagonalization is carried out through a normal Lagrange–Newton–Raphson method solved in a subspace. The subspace is generated using the correction vector that predicts the standard Lagrange–Newton–Raphson formula in the full space. Some numerical examples and the performance of the algorithm are given.
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Received: 16 February 1999 / Accepted: 10 May 1999 / Published online: 9 September 1999
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Anglada, J., Besalú, E. & Bofill, J. Remarks on large-scale matrix diagonalization using a Lagrange–Newton–Raphson minimization in a subspace. Theor Chem Acc 103, 163–166 (1999). https://doi.org/10.1007/s002140050527
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DOI: https://doi.org/10.1007/s002140050527