Citation for |openmolcas| and |molcas|
======================================

The recommended citation for |openmolcas| is:

  **OpenMolcas v23.02:** Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi,
  Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano,
  Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro
  Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B.
  Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F.
  Chibotaru, Nicholas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia
  Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva,
  Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S.
  Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi,
  Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R.
  Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal
  Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S.
  King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst D.
  Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López
  Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand,
  Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov,
  Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci,
  Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix
  Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel
  Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla,
  Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí,
  Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard,
  Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno
  Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera
  Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony,
  Chen Zhou, J. Patrick Zobel, Roland Lindh. "The OpenMolcas *Web*: A
  Community-Driven Approach to Advancing Computational Chemistry." *Journal of
  Chemical Theory and Computation*, **19** (2023), 6933--6991.
  `doi:10.1021/acs.jctc.3c00182 <https://doi.org/10.1021/acs.jctc.3c00182>`_

Earlier citations for |openmolcas| and |molcas| are:

  **OpenMolcas v19.11 Applications:** Francesco Aquilante, Jochen Autschbach,
  Alberto Baiardi, Stefano Battaglia, Veniamin A. Borin, Liviu F. Chibotaru,
  Irene Conti, Luca De Vico, Mikael Delcey, Ignacio Fdez. Galván, Nicolas
  Ferré, Leon Freitag, Marco Garavelli, Xuejun Gong, Stefan Knecht, Ernst D.
  Larsson, Roland Lindh, Marcus Lundberg, Per Åke Malmqvist, Artur Nenov,
  Jesper Norell, Michael Odelius, Massimo Olivucci, Thomas B. Pedersen, Laura
  Pedraza-González, Quan M. Phung, Kristine Pierloot, Markus Reiher, Igor
  Schapiro, Javier Segarra-Martí, Francesco Segatta, Luis Seijo, Saumik Sen,
  Dumitru-Claudiu Sergentu, Christopher J. Stein, Liviu Ungur, Morgane Vacher,
  Alessio Valentini, Valera Veryazov. "Modern quantum chemistry with
  [Open]Molcas." *The Journal of Chemical Physics*, **152** (2020), 214117.
  `doi:10.1063/5.0004835 <https://doi.org/10.1063/5.0004835>`_

  **OpenMolcas v19.11:** Ignacio Fdez. 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 González, 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 Åke 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. Wesołowski, Per-Olof Widmark, Sebastian Wouters, Alexander
  Zech, J. Patrick Zobel, Roland Lindh. "OpenMolcas: From Source Code to
  Insight." *Journal of Chemical Theory and Computation*, **15** (2019),
  5925--5964. `doi:10.1021/acs.jctc.9b00532
  <https://doi.org/10.1021/acs.jctc.9b00532>`_

  **Molcas 8:** F. Aquilante, J. Autschbach, R. K. Carlson, L. F. Chibotaru, M.
  G. Delcey, L. De Vico, I. Fdez. Galván, N. Ferré, L. M. Frutos, L. Gagliardi,
  M. Garavelli, A. Giussani, C. E. Hoyer, G. Li Manni, H. Lischka, D. Ma, P. Å.
  Malmqvist, T. Müller, A. Nenov, M. Olivucci, T. B. Pedersen, D. Peng, F.
  Plasser, B. Pritchard, M. Reiher, I. Rivalta, I. Schapiro, J. Segarra-Martí, M.
  Stenrup, D. G. Truhlar, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, V.
  P. Vysotskiy, O. Weingart, F. Zapata, R. Lindh. ":sc:`Molcas` 8: New
  capabilities for multiconfigurational quantum chemical calculations across the
  periodic table." *Journal of Computational Chemistry*, **37** (2016), 506--541.
  `doi:10.1002/jcc.24221 <https://doi.org/10.1002/jcc.24221>`_

  **Cholesky infrastructure:** F. Aquilante, T. B. Pedersen, V. Veryazov, R.
  Lindh. "MOLCAS---a software for multiconfigurational quantum chemistry
  calculations." *Wiley Interdisciplinary Reviews: Computational Molecular
  Science*, **3** (2013), 143--149. `doi:10.1002/wcms.1117
  <https://doi.org/10.1002/wcms.1117>`_

  **Molcas 7:** F. Aquilante, L. De Vico, N. Ferré, G. Ghigo, P.-Å. Malmqvist, P.
  Neogrády, T. B. Pedersen, M. Pitoňák, M. Reiher, B. O. Roos, L. Serrano-Andrés,
  M. Urban, V. Veryazov, R. Lindh. "MOLCAS 7: The Next Generation." *Journal of
  Computational Chemistry*, **31** (2010), 224-247. `doi:10.1002/jcc.21318
  <https://doi.org/10.1002/jcc.21318>`_

  **Code development:** V. Veryazov, P.-O. Widmark, L. Serrano-Andrés, R. Lindh,
  B. O. Roos. "2MOLCAS as a development platform for quantum chemistry software."
  *International Journal of Quantum Chemistry*, **100** (2004), 626--635.
  `doi:10.1002/qua.20166 <https://doi.org/10.1002/qua.20166>`_

  **Molcas 6:** 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.
  "MOLCAS: a program package for computational chemistry." *Computational
  Material Science*, **28** (2003), 222-239. `doi:10.1016/S0927-0256(03)00109-5
  <https://doi.org/10.1016/S0927-0256(03)00109-5>`_

The following people have contributed to the development of the
|openmolcas| software:

.. In alphabetical order (treating Å as A, etc.)

..

  Christian Ander, Kerstin Andersson, János G. Ángyán, Imaad Ansari, Francesco
  Aquilante, Jochen Autschbach, Jie J. Bao, Maria Barysz, Stefano Battaglia,
  Eugeniusz Bednarz, Nelson H. F. Beebe, Anders Bernhardsson, Margareta R. A.
  Blomberg, Sergey I. Bokarev, Piotr Borowski, Jonas Boström, Per Boussard,
  John Burkardt, Paul B. Calio, Yannick Carissan, Liviu Chibotaru, Christophe
  Chipot, Jonathan R. Church, Aron Cohen, David L. Cooper, Sonia Coriani,
  Maurizio Cossi, Joel Creutzberg, Oleh Danyliv, Nike Dattani, Danjo De Chavez,
  Mickaël G. Delcey, Ajitha Devarajan, Luca De Vico, Michael Diedenhofen,
  Werner Dobrautz, Sijia S. Dong, Thomas Dresselhaus, Thomas J. Duignan, Daniel
  Fairhead, Ignacio Fdez. Galván, Rulin Feng, Nicolas Ferré, Timo Fleig, Niclas
  Forsberg, Leon Freitag, Luis Manuel Frutos, Markus P. Fülscher, Alexander
  Gaenko, Laura Gagliardi, Walter Gautschi, Giovanni Ghigo, Coen de Graaf,
  Joseph Golab, Gene H. Golub, Sergey Gusarov, Daniel Hagberg, Jun-ya Hasegawa,
  Matthew R. Hermes, José Manuel Hermida-Ramón, Bernd Artur Heß, Asbjørn Holt,
  Chad E. Hoyer, Denis Jelovina, Marcus Johansson, Andy Kaiser, Erik Källman,
  Gunnar Karlström, Stefan Knecht, Vladislav Kochetov, Jesper Wisborg Krogh,
  Teodoro Laino, Susi Lehtola, Giovanni Li Manni, Roland Lindh, Johan
  Lorentzon, Dongxia Ma, Yingjin Ma, Per Åke Malmqvist, Neil Martinsen-Burrell,
  Andy May, Manuela Merchán, Isabella C. D. Merritt, Deyan Mihaylov, Samuel
  Mikes, Abdul Rehaman Moughal Shahi, Thomas Müller, Takahito Nakajima, Naoki
  Nakatani, Pavel Neogrády, Yoshio Nishimoto, Jesper Norell, Anders Öhrn, Jeppe
  Olsen, Markus Oppel, Thomas Bondo Pedersen, Daoling Peng, Kurt Pfingst, Quan
  Phung, Michal Pitoňák, Felix Plasser, Christian Pomelli, Ben Pritchard, Juraj
  Raab, Gerardo Raggi, Markus Reiher, H. Rieger, Björn O. Roos, Ulf Ryde,
  Andrzej J. Sadlej, Arta Safari, Pawel Salek, Andrew M. Sand, Michael A.
  Saunders, Igor Schapiro, Bernd Schimmelpfennig, Martin Schütz, Thais Scott,
  Luis Seijo, Luis Serrano-Andrés, Kamal Sharkas, Grigory A. Shamov, Prachi
  Sharma, Per E. M. Siegbahn, Pär Söderhjelm, Lasse Kragh Sørensen, Jonna
  Stålring, Hermann Stoll, Tjerk P. Straatsma, Bingbing Suo, Ben Swerts, Akio
  Takatsuka, Bruno N. C. Tenorio, Thorstein Thorsteinsson, Takashi Tsuchiya,
  Liviu Ungur, Morgane Vacher, Alessio Valentini, Valérie Vallet, Steven
  Vancoillie, Valera Veryazov, Victor P. Vysotskiy, Ulf Wahlgren, Yubin Wang,
  Mark A. Watson, Hans-Joachim Werner, Oskar Weser, Per-Olof Widmark,
  Małgorzata Wierzbowska, Alexander Wolf, Sebastian Wouters, Felipe Zapata,
  Alexander Zech, Yan Zhao, Chen Zhou, J. Patrick Zobel.
