^Young, David C. Appendix A. A.2.3 GAMESS. Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems. Wiley-Interscience. 2001: 335. ISBN 978-0-471-33368-5. doi:10.1002/0471220655.
^Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.; Elbert, Steven T.; Gordon, Mark S.; Jensen, Jan H.; Koseki, Shiro; Matsunaga, Nikita; Nguyen, Kiet A. General atomic and molecular electronic structure system. Journal of Computational Chemistry. 1993, 14 (11): 1347–1363. doi:10.1002/jcc.540141112. This is one of the most cited chemistry articles （页面存档备份，存于互联网档案馆）
^Gordon, Mark S.; Schmidt, Michael W. Advances in electronic structure theory: GAMESS a decade later. C. E. Dykstra, G. Frenking. K. S. Lim and G. E. Scusaria (编). Theory and Applications of Computational Chemistry, the first 40 years. Amsterdam: Elsevier. 2005. ISBN 978-0-444-51719-7.
^Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.; Jensen, Jan H.; Koseki, Shiro; Gordon, Mark S.; Nguyen, Kiet A.; Windus, Theresa L.; Elbert, Stephen T. General Atomic and Molecular Electronic Structure System (GAMESS). QCPE Bulletin. 1990, 10. ISSN 0889-7514. OCLC 7963600.
^2010年3月GAMESS列出的贡献成员包括: Michael Schmidt, Kimberly Baldridge, Jerry Boatz, Stephen Elbert, Mark Gordon, Jan Jensen, Shiro Koseki, Nikita Matsunaga, Kiet Nguyen, Shujun Su, Theresa Windus, Michel Dupuis, John Montgomery, Ivana Adamovic, Christine Aikens, Yuri Alexeev, Pooja Arora, Andrey Asadchev, Rob Bell, Pradipta Bandyopadhyay, Jonathan Bentz, Brett Bode, Galina Chaban, Wei Chen, Cheol Ho Choi, Paul Day, Tim Dudley, Dmitri Fedorov, Graham Fletcher, Mark Freitag, Kurt Glaesemann, Dan Kemp, Grant Merrill, Jonathan Mullin, Takeshi Nagata, Sean Nedd, Heather Netzloff, Bosiljka Njegic, Ryan Olson, Mike Pak, Jim Shoemaker, Lyudmila Slipchenko, Sarom Sok, Jie Song, Tetsuya Taketsugu, Simon Webb, Soohaeng Yoo, Federico Zahariev, Joe Ivanic, Laimutis Bytautas, Klaus Ruedenberg,Kimihiko Hirao, Takahito Nakajima, Takao Tsuneda, Muneaki Kamiya, Susumu Yanagisawa, Kiyoshi Yagi, Mahito Chiba, Seiken Tokura, Naoaki Kawakami, Frank Jensen, Visvaldas Kairys, Hui Li, Walt Stevens, David Garmer, Benedetta Mennucci, Jacopo Tomasi, Henry Kurtz, Prakashan Korambath, Toby Zeng, Mariusz Klobukowski, Mark Spackman, Hiroaki Umeda, Karol Kowalski, Marta Wloch, Jeffrey Gour, Jesse Lutz, Piotr Piecuch, Monika Musial, Stanislaw Kucharski, Olivier Quinet, Benoit Champagne, Bernard Kirtman, Kazuya Ishimura And Shigeru Nagase, Dan Chipman, Haruyuki Nakano, Feng Long Gu, Jacek Korchowiec, Marcin Makowski, And Yuriko Aoki, Hirotoshi Mori And Eisaku Miyoshi, Tzvetelin Iordanov, Chet Swalina, Jonathan Skone, Sharon Hammes-Schiffer, Masato Kobayashi, Tomoko Akama, Hiromi Nakai, Peifeng Su, Dejun Si, Yali Wang, Hui Li
^Gordon Research Group. GAMESS Manual (Introduction) (PDF). [2012-06-23]. （原始内容 (PDF)于2012-03-29）.
外部链接编辑
GAMESS-US 主页
GAMESS 谷歌讨论组
Jan Jensen的博客，含有部分 GAMESS 教程
GAMESS-US 文档
十一月 20, 2023
gamess, 美国版, 是一个常用的计算化学软件, 其全名为通用原子分子电子结构系统, general, atomic, molecular, electronic, structure, system, 作为美国国家化学计算资源, nrcc, national, resources, computations, chemistry, 项目的一部分, gamess的代码于1977年10月1日开始编写, 1981年, 源码分裂为两个分支, 即美国版与英国版, 时至今日, 两个版本之间已经有很大差异, 其中美国版的源. GAMESS 美国版 是一个常用的计算化学软件 其全名为通用原子分子电子结构系统 General Atomic and Molecular Electronic Structure System 2 3 4 5 6 作为美国国家化学计算资源 NRCC National Resources for Computations in Chemistry 项目的一部分 GAMESS的代码于1977年10月1日开始编写 7 1981年 源码分裂为两个分支 即美国版与英国版 时至今日 两个版本之间已经有很大差异 其中美国版的源代码由美国爱荷华大学的Gordon研究组 页面存档备份 存于互联网档案馆 维护 GAMESS美国版的源码是免费的 但由于软件许可证方面的限制 GAMESS 并非开源软件 GAMESS開發者爱荷华州立大学量子化学小组当前版本2019 R1 Public Release 2019年6月30日 1 操作系统Linux FreeBSD Unix和类Unix操作系统 Microsoft Windows Mac OS X类型计算化学许可协议免费软件网站http www msg chem iastate edu gamess index html此條目需要更新 2014年1月5日 請更新本文以反映近況和新增内容 完成修改後請移除本模板 目录 1 计算能力 2 参见 3 参考文献 4 外部链接计算能力 编辑GAMESS US 基本计算能力汇总 C 传统积分存储 D direct AO integration p 并行计算 F FMO计算 SCFTYP RHF ROHF UHF GVB MCSCF能量 CDpF CDpF CDp CDp CDpF解析计算梯度 CDpF CDpF CDp CDp CDpF数值计算海森矩阵 CDpF CDp CDp CDp CDp解析计算海森矩阵 CDp CDp CDp CDpMP2 能量 CDpF CDpF CDp CDpMP2 梯度 CDpF Dp CDp CI 能量 CDp CDp CDp CDpCI 梯度 CD CC 能量 CDpF EOM 能量 CD DFT 能量 CDpF CDp CDp DFT 梯度 CDpF CDp CDp MOPAC 能量 nbsp Y nbsp Y nbsp Y nbsp Y MOPAC 梯度 nbsp Y nbsp Y nbsp Y 参见 编辑计算化学参考文献 编辑 https www msg chem iastate edu GAMESS versions html 检索日期 2019年11月6日 Young David C Appendix A A 2 3 GAMESS Computational Chemistry A Practical Guide for Applying Techniques to Real World Problems Wiley Interscience 2001 335 ISBN 978 0 471 33368 5 doi 10 1002 0471220655 Schmidt Michael W Baldridge Kim K Boatz Jerry A Elbert Steven T Gordon Mark S Jensen Jan H Koseki Shiro Matsunaga Nikita Nguyen Kiet A General atomic and molecular electronic structure system Journal of Computational Chemistry 1993 14 11 1347 1363 doi 10 1002 jcc 540141112 This is one of the most cited chemistry articles 页面存档备份 存于互联网档案馆 Gordon Mark S Schmidt Michael W Advances in electronic structure theory GAMESS a decade later C E Dykstra G Frenking K S Lim and G E Scusaria 编 Theory and Applications of Computational Chemistry the first 40 years Amsterdam Elsevier 2005 ISBN 978 0 444 51719 7 Schmidt Michael W Baldridge Kim K Boatz Jerry A Jensen Jan H Koseki Shiro Gordon Mark S Nguyen Kiet A Windus Theresa L Elbert Stephen T General Atomic and Molecular Electronic Structure System GAMESS QCPE Bulletin 1990 10 ISSN 0889 7514 OCLC 7963600 2010年3月GAMESS列出的贡献成员包括 Michael Schmidt Kimberly Baldridge Jerry Boatz Stephen Elbert Mark Gordon Jan Jensen Shiro Koseki Nikita Matsunaga Kiet Nguyen Shujun Su Theresa Windus Michel Dupuis John Montgomery Ivana Adamovic Christine Aikens Yuri Alexeev Pooja Arora Andrey Asadchev Rob Bell Pradipta Bandyopadhyay Jonathan Bentz Brett Bode Galina Chaban Wei Chen Cheol Ho Choi Paul Day Tim Dudley Dmitri Fedorov Graham Fletcher Mark Freitag Kurt Glaesemann Dan Kemp Grant Merrill Jonathan Mullin Takeshi Nagata Sean Nedd Heather Netzloff Bosiljka Njegic Ryan Olson Mike Pak Jim Shoemaker Lyudmila Slipchenko Sarom Sok Jie Song Tetsuya Taketsugu Simon Webb Soohaeng Yoo Federico Zahariev Joe Ivanic Laimutis Bytautas Klaus Ruedenberg Kimihiko Hirao Takahito Nakajima Takao Tsuneda Muneaki Kamiya Susumu Yanagisawa Kiyoshi Yagi Mahito Chiba Seiken Tokura Naoaki Kawakami Frank Jensen Visvaldas Kairys Hui Li Walt Stevens David Garmer Benedetta Mennucci Jacopo Tomasi Henry Kurtz Prakashan Korambath Toby Zeng Mariusz Klobukowski Mark Spackman Hiroaki Umeda Karol Kowalski Marta Wloch Jeffrey Gour Jesse Lutz Piotr Piecuch Monika Musial Stanislaw Kucharski Olivier Quinet Benoit Champagne Bernard Kirtman Kazuya Ishimura And Shigeru Nagase Dan Chipman Haruyuki Nakano Feng Long Gu Jacek Korchowiec Marcin Makowski And Yuriko Aoki Hirotoshi Mori And Eisaku Miyoshi Tzvetelin Iordanov Chet Swalina Jonathan Skone Sharon Hammes Schiffer Masato Kobayashi Tomoko Akama Hiromi Nakai Peifeng Su Dejun Si Yali Wang Hui Li Gordon Research Group GAMESS Manual Introduction PDF 2012 06 23 原始内容存档 PDF 于2012 03 29 外部链接 编辑GAMESS US 主页 GAMESS 谷歌讨论组 Jan Jensen的博客 含有部分 GAMESS 教程 GAMESS US 文档 取自 https zh wikipedia org w index php title GAMESS 美国版 amp oldid 77116440, 维基百科，wiki，书籍，书籍，图书馆，
