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MOLCAS manual:

Next: 1.7 Web Site Up: 1. Introduction to MOLCAS Previous: 1.5 Acknowledgment

1.6 Citation for MOLCAS

The recommended citations for MOLCAS Version 8.1 are:

Molcas 7.4: F. Aquilante, L. De Vico, N. Ferré, G. Ghigo, P.-Å Malmqvist, P. Neogrády, T.B. Pedersen, M. Pitonak, M. Reiher, B.O. Roos, L. Serrano-Andrés, M. Urban, V. Veryazov, R. Lindh, Journal of Computational Chemistry, 31, 224, 2010
Code development: V. Veryazov, P.-O. Widmark, L. Serrano-Andres, R. Lindh, B.O. Roos, International journal of Quantum Chemistry, 100, 626 (2004).
Molcas 7: G. Karlström, R. Lindh, P.-Å. Malmqvist, B. O. Roos, U. Ryde, V. Veryazov, P.-O. Widmark, M. Cossi, B. Schimmelpfennig, P. Neogrády, L. Seijo, Computational Material Science, 28, 222 (2003).

The following persons have contributed to the development of the MOLCAS software:

K. Andersson, F. Aquilante, M. Barysz, A. Bernhardsson, M. R .A. Blomberg, J. Boström, Y. Carissan, L. Chibotaru, D. L. Cooper, M. Cossi, M. Delcey, A. Devarajan, L. De Vico, I. Fdez. Galván, N. Ferré, M. P. Fülscher, A. Gaenko, L. Gagliardi, G. Ghigo, C. de Graaf, S. Gusarov, B. A. Hess, D. Hagberg, J. M. Hermida-Ramón, A. Holt, G. Karlström, J. W. Krogh, R. Lindh, P.-Å. Malmqvist, T. Nakajima, P. Neogrády, J. Olsen, T. B. Pedersen, D. Peng, M. Pitonak, J. Raab, M. Reiher, B. O. Roos, U. Ryde, B. Schimmelpfennig, M. Schütz, L. Seijo, L. Serrano-Andrés, I. Schapiro, P. E. M. Siegbahn, J. Stålring, B. Suo, P. Sushko, T. Thorsteinsson, T. Tsuchiya, L. Ungur, S. Vancoillie, V. Veryazov, V. Vysotskiy, and P.-O. Widmark.


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Next: 1.7 Web Site Up: 1. Introduction to MOLCAS Previous: 1.5 Acknowledgment