Subject: The Sign-Mystery

From: [email-masked] (Michael Beck tel. 4816)
Date: Thu, 25 Aug 1994 09:30:03 +0200 (MET DST)

Dear Netters,

There is a phenomenon i don't understand:
The signs of wave-function-coefficients are of no physical relevance,
except their relative signs.  I've run a little CNDO/S-Program on a
HP700 and the same program on an IBM-RS6000. The absolute values of
the CI-coefficients where identical in both runs (at least within 
numerical tolerances). But the signs were different!!
The same effect could be seen for the signs of transition-moments.
The values and signs of any observables are not affected at all, as
expected.
Could anyone explain that?
Thanx                                     Michael E. Beck
                                          Cologne, Germany