Subject: AMICA, an r12-MR-CI program system

From: Robert Gdanitz <[email-masked]>
Date: Mon, 13 Nov 2000 17:54:49 +0100 (MET)

Dear Colleagues:

I would like to draw your attention to a new program system called "AMICA."

AMICA stands for "Atoms & Molecules in Chemical Accuracy." The program is
capable of performing multi-reference (MR) configuration interaction (CI) like
calculations including terms that are linear in the interelectronic distances. 

It features:

 o a user-friendly interface
 o a basis set library
 o r12-MR-ACPF, -AQCC, -CEPA-0, -CI and CPF (only single-reference without r12 
   terms) calculations
 o tuned code for Compaq-Alpha (OSF1), NEC (Super-UX), and SGI (Irix) 

AMICA is freely available (for members of non-profit organizations) from
http://www.tu-bs.de/~gdanitz/amica. For a short description of the method and 
access to the manual, see: http://www.tu-bs.de/~gdanitz/#r12-CI.

Please direct possible questions to: gdanitz.tu-bs.de.

Regards, Robert 
--
Dr. Robert J. Gdanitz 
Assistant Research Professor   Privatdozent for Theoretical Physics
Department of Chemistry        Institute for Physical and Theoretical Chemistry
Salt Lake City                 Technical University, Hans-Sommer-Str. 10
Utah 84112-0850, USA           D-38106 Braunschweig, Germany