Subject: Release of RPAC 11.0

From: "Kirby, Robert" <[email-masked]>
Date: Fri, 08 Nov 96 14:08:00 PST

Announcement For The Computational Chemistry Community

Release of RPAC 11.0

         RPAC Molecular Properties Package, Version 11.0 (1996)
                University of Copenhagen, Denmark, 1996.

             Thomas D. Bouman, Aage E. Hansen, Keld L. Bak
                Thomas B. Pedersen and Robert A. Kirby

Copyright 1996 by Aage E. Hansen, Department of Chemistry,
H.C. Orsted Institute
University of Copenhagen,
DK-2100 Copenhagen, Denmark

Abstract
         Program RPAC is a post-SCF package that computes electronic
excitation and response properties in first-order (RPA/CHF) and
second-order (SOPPA/SOLO) linear response theory.   Electronic
excitation properties include transition energies, oscillator and
rotatory strengths, rotatory strength tensors, transition  densities
and excitation charge rearrangements.   Electronic ground state
response  properties include nuclear magnetic shielding tensors,
atomic polar and axial  tensors for vibrational circular dichroism
(CHF level only), and static and  dynamic dipole polarizabilities.
It provides analyses in molecular structural  terms (not implemented
for rotatory strength tensors) and output for graphic displays.
Routines for graphical displays are included as stand alone programs
in the distribution package.
        As a post-SCF package, RPAC 11.0 must be interfaced to an
appropriate SCF program and it is assumed that such SCF packages
are operated under proper license.

Distribution Policy
         RPAC 11.0 is distributed free of charge and is ported onto a
number platforms.  The user is provided with source code, test files,
and manual. To obtain a copy of RPAC 11.0, e-mail to Dr. Aa. E. Hansen
at [email-masked] and request the appropriate release form. When
this form has been signed by the user and a responsible officer
then ftp site information will be provided which will permit one to
obtain RPAC 11.0.