Efficient linear algebra routines for symmetric matrices stored in packed form
Reinhart Ahlrichs, Kakha Tsereteli · Journal of Computational Chemistry · 2001
Abstract Quantum chemistry methods require various linear algebra routines for symmetric matrices, for example, diagonalization or Cholesky decomposition for positive matrices. We present a small set of these basic routines that are efficient and minimize memory requirements. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 306–309, 2002