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Software for the Frontiers of Quantum Chemistry: an Overview of Developments in the Q-Chem 5 Package

Evgeny Epifanovsky,Andrew T. B. Gilbert,Xintian Feng,Joonho Lee,Yuezhi Mao,Narbe Mardirossian,Pavel Pokhilko,Alec F. White,Marc P. Coons,Adrian L. Dempwolff,Zhengting Gan,Diptarka Hait,Paul R. Horn,Leif D. Jacobson,Ilya Kaliman,Jorg Kussmann,Adrian W. Lange,Ka Un Lao,Daniel S. Levine, Jie Liu,Simon C. McKenzie,Adrian F. Morrison,Kaushik D. Nanda,Felix Plasser,Dirk R. Rehn,Marta L. Vidal,Zhi-Qiang You, Ying Zhu,Bushra Alam,Benjamin J. Albrecht,Abdulrahman Aldossary,Ethan Alguire,Josefine H. Andersen,Vishikh Athavale,Dennis Barton,Khadiza Begam,Andrew Behn,Nicole Bellonzi,Yves A. Bernard,Eric J. Berquist,Hugh G. A. Burton,Abel Carreras,Kevin Carter-Fenk,Romit Chakraborty,Alan D. Chien,Kristina D. Closser, Vale Cofer-Shabica,Saswata Dasgupta,Marc de Wergifosse, Jia Deng,Michael Diedenhofen,Hainam Do,Sebastian Ehlert, Po-Tung Fang,Shervin Fatehi,Qingguo Feng, Triet Friedhoff,James Gayvert,Qinghui Ge,Gergely Gidofalvi,Matthew Goldey, Joe Gomes,Cristina E. Gonzalez-Espinoza,Sahil Gulania,Anastasia O. Gunina,Magnus W. D. Hanson-Heine, Phillip H. P. Harbach,Andreas Hauser,Michael F. Herbst,Mario Hernandez Vera,Manuel Hodecker,Zachary C. Holden, Shannon Houck,Xunkun Huang,Kerwin Hui,Bang C. Huynh,Maxim Ivanov,Adam Jasz,Hyunjun Ji,Hanjie Jiang,Benjamin Kaduk, Sven Kaehler,Kirill Khistyaev, Jaehoon Kim, Gergely Kis, Phil Klunzinger,Zsuzsanna Koczor-Benda, Joong Hoon Koh, Dimitri Kosenkov, Laura Koulias,Tim Kowalczyk,Caroline M. Krauter,Karl Kue,Alexander Kunitsa, Thomas Kus,Istvan Ladjanszki,Arie Landau,Keith Lawler,Daniel Lefrancois,Susi Lehtola,Run R. Li, Yi-Pei Li,Jiashu Liang, Marcus Liebenthal,Hung-Hsuan Lin, You-Sheng Lin,Fenglai Liu, Kuan-Yu Liu,Matthias Loipersberger,Arne Luenser,Aaditya Manjanath,Prashant Manohar,Erum Mansoor, Sam F. Manzer,Shan-Ping Mao,Aleksandr Marenich,Thomas Markovich, Stephen Mason,Simon A. Maurer, Peter F. McLaughlin,Maximilian F. S. J. Menger,Jan-Michael Mewes,Stefanie A. Mewes,Pierpaolo Morgante,J. Wayne Mullinax,Katherine J. Oosterbaan, Garrette Paran,Alexander C. Paul,Suranjan K. Paul,Fabijan Pavosevic, Zheng Pei,Stefan Prager,Emil Proynov,Adam Rak,Eloy Ramos-Cordoba,Bhaskar Rana,Alan E. Rask,Adam Rettig,Ryan M. Richard,Fazle Rob,Elliot Rossomme,Tarek Scheele,Maximilian Scheurer, Matthias Schneider, Nickolai Sergueev, Shaama M. Sharada,Wojciech Skomorowski,David W. Small,Christopher J. Stein,Yu-Chuan Su,Eric J. Sundstrom, Zhen Tao,Jonathan Thirman, Gabor J. Tornai,Takashi Tsuchimochi,Norm M. Tubman,Srimukh Prasad Veccham,Oleg Vydrov,Jan Wenzel, Jon Witte,Atsushi Yamada, Kun Yao,Sina Yeganeh,Shane R. Yost,Alexander Zech,Igor Ying Zhang, Xing Zhang, Yu Zhang,Dmitry Zuev,Alan Aspuru-Guzik, Alexis T. Bell,Nicholas A. Besley,Ksenia B. Bravaya,Bernard R. Brooks,David Casanova,Jeng-Da Chai,Sonia Coriani,Christopher J. Cramer,Gyorgy Cserey,A. Eugene DePrince,Robert A. DiStasio,Andreas Dreuw,Barry D. Dunietz, Thomas R. Furlani, William A. Goddard, Sharon Hammes-Schiffer, Teresa Head-Gordon,Warren J. Hehre, Chao-Ping Hsu,Thomas-C Jagau,Yousung Jung,Andreas Klamt, Jing Kong,Daniel S. Lambrecht, WanZhen Liang,Nicholas J. Mayhall,C. William McCurdy,Jeffrey B. Neaton,Christian Ochsenfeld,John A. Parkhill,Roberto Peverati,Vitaly A. Rassolov, Yihan Shao,Lyudmila Slipchenko,Tim Stauch,Ryan P. Steele,Joseph E. Subotnik,Alex J. W. Thom,Alexandre Tkatchenko, Donald G. Truhlar,Troy Van Voorhis, Tomasz A. Wesolowski, K. Birgitta Whaley, H. Lee Woodcock,Paul M. Zimmerman,Shirin Faraji, Peter M. W. Gill,Martin Head-Gordon,John M. Herbert, Anna Krylov

The Journal of Chemical Physics(2021)

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