Molcas Forum

Support and discussions for Molcas and OpenMolcas users and developers

You are not logged in.


Welcome to the Molcas forum.

Please note: The forum's URL has changed. The new URL is: Please update your bookmarks!

You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".

#1 2015-11-27 11:17:06

From: Uppsala
Registered: 2015-11-03
Posts: 889

The Molcas 8 article is out

About one year after the release of Molcas 8.0, the Molcas 8 article is published, describing some of the new and upcoming features in Molcas.

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 (2016) 504-541.
DOI: 10.1002/jcc.24221


Board footer

Powered by FluxBB 1.5.11

Last refresh: Today 03:32:39