From aiba@volta.vmsmail.ethz.ch  Sun Jul 31 18:12:59 1994
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From: aiba@volta.vmsmail.ethz.ch (Aiaz Bakassov, Phys. Chem., ETH Zurich)
Subject: QUE. Matrix elements between Slater determinants.
Date: Sun, 31 Jul 1994 19:24:16 +0200


Dear netters,

1) Does anyone know a software
   (FORTRAN, or MATHEMATICA, or MAPLE)
   which allows to evaluate the matrix
   elements of operators between
   determinantal wave functions described in
   any non-ambiguous way ?

2) Why this question:
   in particular, because my own 
   pencil&paper calculations
   give results differing from some
   in Szabo&Ostlund.
   For example, p.73,
   exercise 2.13, case a # b, r=s,
   I've found that both "+" and "-"
   signs are possible for the matrix
   element while in the book only
   "-" sign stands.
   And, naturally, one (me!) cannot load
   the expression into a program
   being not sure that it is 100% correct.

By the way, if anyone knows
E-Mails of the authors,
Attila Szabo and Neil S. Ostlund,
I'd be very grateful to get them.

Sincerely,
Ayaz Bakasov.