Molcas: A Quantum Chemistry Software
MOLCAS is a quantum chemistry software developed by scientists to be used by scientists. The authors have tried in MOLCAS to assemble their collected experience and knowledge in computational quantum chemistry. A number of groups around the world work together in the join project of developing a useful platform to perform quantum chemical calculations:
|Version 7.6 of Molcas has been released in 2011|
|The Molcas Network|
Molcas: Release 7.6. K. Andersson, F. Aquilante, M. Barysz, E. Bednarz, A. Bernhardsson, M. R .A. Blomberg, Y. Carissan, D. L. Cooper, M. Cossi, A. Devarajan, L. De Vico, N. Ferré, M. P. Fülscher, A. Gaenko, L. Gagliardi, G. Ghigo, C. de Graaf, B. A. Hess, D. Hagberg, A. Holt, G. Karlström, J. W. Krogh, R. Lindh, P.-Å. Malmqvist, T. Nakajima, P. Neogrády, J. Olsen, T. B. Pedersen, J. Raab, M. Reiher, B. O. Roos, U. Ryde, B. Schimmelpfennig, M. Schütz, L. Seijo, L. Serrano-Andrés, P. E. M. Siegbahn, J. Stålring, T. Thorsteinsson, V. Veryazov, P.-O. Widmark, and A. Wolf.,
Department of Theoretical Chemistry, Lund University, Sweden (2007).
Examples of recent applications performed in Minneapolis using the latest tools in MOLCAS: