The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

by Hans Lischka, Ron Shepard, Thomas Müller, Péter G Szalay, Russell M Pitzer, Adelia JA Aquino, Mayzza M Araújo do Nascimento, Mario Barbatti, Lachlan T Belcher, Jean-Philippe Blaudeau, Itamar Borges, Scott R Brozell, Emily A Carter, Anita Das, Gergely Gidofalvi, Leticia González, William L Hase, Gary Kedziora, Miklos Kertesz, Fábris Kossoski, Francisco BC Machado, Spiridoula Matsika, Silmar A do Monte, Dana Nachtigallová, Reed Nieman, Markus Oppel, Carol A Parish, Felix Plasser, Rene FK Spada, Eric A Stahlberg, Elizete Ventura, David R Yarkony, Zhiyong Zhang
Published 2020

OpenMolcas: From source code to insight

by Ignacio Fernández Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Laura Gagliardi, Frédéric Gendron, Angelo Giussani, Leticia Gonzalez, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Ake Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristin Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz A Wesolowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh
Published 2019