AMICA: 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:
- a user-friendly interface
- a basis set library
- r12-MR-ACPF, -AQCC, -CEPA-0, -CI and CPF (only single-reference without r12
terms) calculations
- 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/.
Please direct possible questions to:
Dr. Robert J. Gdanitz.