Subject: Canonical orthogonalization

From: [email-masked]
Date: Thu, 8 Apr 1999 17:10:48 +0200

you wrote :

> Does anyone know the efficient algorithm/subroutine for calculating the
> basis in the orthogonal subspace?  Or, more precisely:
>  Given N M-dimensional vectors, how to find (M-N) M-dimensional
> orthonormal vectors, each of them being orthogonal to the each of the N
> original vectors.
> 
> This seems to be a very universal problem, yet I couldn't find anything in
> LAPACK/NETLIB/Numerical Recipies.
> 
> Any help will be very much appreciated
>
>_______
>
> Vitaly Rassolov                      [email-masked]
> Chemistry Department                 tel. (847) 491-3423
> Northwestern University              fax  (847) 491-7713

Hello,

have a look at paper :
X. Assfeld, and J.-L. Rivail, CHem. Phys. Lett. 263 (1996) 100.
you will find what you are looking for.
C.U.

                                      ...Xav

Ast. Pr. Xavier Assfeld             [email-masked]
Laboratoire de Chimie theorique     (T) 33 3 83 91 21 49
Universite Henri Poincare           (F) 33 3 83 91 25 30
F-54506 Nancy BP 239                http://www.lctn.u-nancy.fr