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"Molcas 8: New capabilities for multiconfigurational quantum chemical ..."
Francesco Aquilante et al. (2016)
- Francesco Aquilante, Jochen Autschbach
, Rebecca K. Carlson
, Liviu F. Chibotaru
, Mickaël G. Delcey, Luca De Vico
, Ignacio Fdez. Galván
, Nicolas Ferré
, Luis Manuel Frutos
, Laura Gagliardi
, Marco Garavelli
, Angelo Giussani
, Chad E. Hoyer
, Giovanni Li Manni
, Hans Lischka, Dongxia Ma, Per-Åke Malmqvist, Thomas Müller
, Artur Nenov
, Massimo Olivucci
, Thomas Bondo Pedersen
, Daoling Peng, Felix Plasser, Ben Pritchard, Markus Reiher
, Ivan Rivalta
, Igor Schapiro
, Javier Segarra-Martí
, Michael Stenrup, Donald G. Truhlar
, Liviu Ungur
, Alessio Valentini
, Steven Vancoillie, Valera Veryazov
, Victor P. Vysotskiy, Oliver Weingart
, Felipe Zapata
, Roland Lindh:
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. J. Comput. Chem. 37(5): 506-541 (2016)
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