Skip to main content
Log in

Remarks on large-scale matrix diagonalization using a Lagrange–Newton–Raphson minimization in a subspace

  • Regular article
  • Published:
Theoretical Chemistry Accounts Aims and scope Submit manuscript

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.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

Author information

Authors and Affiliations

Authors

Additional information

Received: 16 February 1999 / Accepted: 10 May 1999 / Published online: 9 September 1999

Rights and permissions

Reprints and permissions

About this article

Cite this article

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

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1007/s002140050527

Navigation