Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
用于量子化学前沿领域的软件：Q-Chem 5 软件包发展概述
期刊:Journal of Chemical Physics
影响因子:3.1
doi:10.1063/5.0055522
Epifanovsky, Evgeny; Gilbert, Andrew T B; Feng, Xintian; Lee, Joonho; Mao, Yuezhi; Mardirossian, Narbe; Pokhilko, Pavel; White, Alec F; Coons, Marc P; Dempwolff, Adrian L; Gan, Zhengting; Hait, Diptarka; Horn, Paul R; Jacobson, Leif D; Kaliman, Ilya; Kussmann, Jörg; Lange, Adrian W; Lao, Ka Un; Levine, Daniel S; Liu, Jie; McKenzie, Simon C; Morrison, Adrian F; Nanda, Kaushik D; Plasser, Felix; Rehn, Dirk R; Vidal, Marta L; You, Zhi-Qiang; Zhu, Ying; Alam, Bushra; Albrecht, Benjamin J; Aldossary, Abdulrahman; Alguire, Ethan; Andersen, Josefine H; Athavale, Vishikh; Barton, Dennis; Begam, Khadiza; Behn, Andrew; Bellonzi, Nicole; Bernard, Yves A; Berquist, Eric J; Burton, Hugh G A; Carreras, Abel; Carter-Fenk, Kevin; Chakraborty, Romit; Chien, Alan D; Closser, Kristina D; Cofer-Shabica, Vale; Dasgupta, Saswata; de Wergifosse, Marc; Deng, Jia; Diedenhofen, Michael; Do, Hainam; Ehlert, Sebastian; Fang, Po-Tung; Fatehi, Shervin; Feng, Qingguo; Friedhoff, Triet; Gayvert, James; Ge, Qinghui; Gidofalvi, Gergely; Goldey, Matthew; Gomes, Joe; González-Espinoza, Cristina E; Gulania, Sahil; Gunina, Anastasia O; Hanson-Heine, Magnus W D; Harbach, Phillip H P; Hauser, Andreas; Herbst, Michael F; Hernández Vera, Mario; Hodecker, Manuel; Holden, Zachary C; Houck, Shannon; Huang, Xunkun; Hui, Kerwin; Huynh, Bang C; Ivanov, Maxim; Jász, Ádám; Ji, Hyunjun; Jiang, Hanjie; Kaduk, Benjamin; Kähler, Sven; Khistyaev, Kirill; Kim, Jaehoon; Kis, Gergely; Klunzinger, Phil; Koczor-Benda, Zsuzsanna; Koh, Joong Hoon; Kosenkov, Dimitri; Koulias, Laura; Kowalczyk, Tim; Krauter, Caroline M; Kue, Karl; Kunitsa, Alexander; Kus, Thomas; Ladjánszki, István; Landau, Arie; Lawler, Keith V; Lefrancois, Daniel; Lehtola, Susi; Li, Run R; Li, Yi-Pei; Liang, Jiashu; Liebenthal, Marcus; Lin, Hung-Hsuan; Lin, You-Sheng; Liu, Fenglai; Liu, Kuan-Yu; Loipersberger, Matthias; Luenser, Arne; Manjanath, Aaditya; Manohar, Prashant; Mansoor, Erum; Manzer, Sam F; Mao, Shan-Ping; Marenich, Aleksandr V; Markovich, Thomas; Mason, Stephen; Maurer, Simon A; McLaughlin, Peter F; Menger, Maximilian F S J; Mewes, Jan-Michael; Mewes, Stefanie A; Morgante, Pierpaolo; Mullinax, J Wayne; Oosterbaan, Katherine J; Paran, Garrette; Paul, Alexander C; Paul, Suranjan K; Pavošević, Fabijan; Pei, Zheng; Prager, Stefan; Proynov, Emil I; Rák, Ádám; Ramos-Cordoba, Eloy; Rana, Bhaskar; Rask, Alan E; Rettig, Adam; Richard, Ryan M; Rob, Fazle; Rossomme, Elliot; Scheele, Tarek; Scheurer, Maximilian; Schneider, Matthias; Sergueev, Nickolai; Sharada, Shaama M; Skomorowski, Wojciech; Small, David W; Stein, Christopher J; Su, Yu-Chuan; Sundstrom, Eric J; Tao, Zhen; Thirman, Jonathan; Tornai, Gábor J; Tsuchimochi, Takashi; Tubman, Norm M; Veccham, Srimukh Prasad; Vydrov, Oleg; Wenzel, Jan; Witte, Jon; Yamada, Atsushi; Yao, Kun; Yeganeh, Sina; Yost, Shane R; Zech, Alexander; Zhang, Igor Ying; Zhang, Xing; Zhang, Yu; Zuev, Dmitry; Aspuru-Guzik, Alán; Bell, Alexis T; Besley, Nicholas A; Bravaya, Ksenia B; Brooks, Bernard R; Casanova, David; Chai, Jeng-Da; Coriani, Sonia; Cramer, Christopher J; Cserey, György; DePrince, A Eugene 3rd; DiStasio, Robert A Jr; Dreuw, Andreas; Dunietz, Barry D; Furlani, Thomas R; Goddard, William A 3rd; Hammes-Schiffer, Sharon; Head-Gordon, Teresa; Hehre, Warren J; Hsu, Chao-Ping; Jagau, Thomas-C; Jung, Yousung; Klamt, Andreas; Kong, Jing; Lambrecht, Daniel S; Liang, WanZhen; Mayhall, Nicholas J; McCurdy, C William; Neaton, Jeffrey B; Ochsenfeld, Christian; Parkhill, John A; Peverati, Roberto; Rassolov, Vitaly A; Shao, Yihan; Slipchenko, Lyudmila V; Stauch, Tim; Steele, Ryan P; Subotnik, Joseph E; Thom, Alex J W; Tkatchenko, Alexandre; Truhlar, Donald G; Van Voorhis, Troy; Wesolowski, Tomasz A; Whaley, K Birgitta; Woodcock, H Lee 3rd; Zimmerman, Paul M; Faraji, Shirin; Gill, Peter M W; Head-Gordon, Martin; Herbert, John M; Krylov, Anna I
