AMICA, an r12-MR-CI program system
I would like to draw your attention to a new program system called
AMICA stands for "Atoms & Molecules in Chemical Accuracy." The
capable of performing multi-reference (MR) configuration interaction (CI) like
calculations including terms that are linear in the interelectronic distances.
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
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.
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