Parallel algorithm for integral transformations and GUGA MCSCF
Author:
Publisher
Springer Science and Business Media LLC
Subject
Chiropractics,Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/BF01167282.pdf
Reference20 articles.
1. Dupuis M, Watts JD (1987) Theor Chim Acta 71:91; Guest MF, Harrison RJ, van Lenthe JH, van Corler LCH (1987) Theor Chim Acta 71:117; Ernenwein R, Rohmer MM, Benard M (1990) Comput Phys Comm 58:305; Rohmer MM, Demuynck J, Bénard M, Wiest R, Bachmann C, Henriet C, Ernenwein R (1990) Comput Phys Comm 60:127; Harrison RJ, Kendall RA (1991) Theor Chim Acta 79:337; Cooper MD, Hillier IH (1991) J Comput-Aided Mol Des 5:171; Kindermann S, Michel E, Otto P (1992) J Comp Chem 13:414; Lüthi HP, Mertz JE, Feyereisen MW, Almlöf JE (1992) J Comp Chem 13:160; Brode S, Horn H, Ehrig M, Moldrup D, Rice JE, Ahlrichs R (1993) J Comp Chem 14:1142; also see (1993) Theor Chim Acta 255ff (No. 4–5)
2. Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Ngyen KA, Su S, Windus TL, Dupuis M, Montgomery JA Jr (1993) J Comp Chem 14:1347
3. Watts JD, Dupuis M (1988) J Comp Chem 9:158
4. Rendell AP, Lee TJ, Lindh R (1992) Chem Phys Lett 194:84
5. Harrison RJ (1991) J Chem Phys 94:5021; Harrison RJ, Stahlberg E (1992) CSCC Update 13:5; Schuller M, Kovar T, Lischka H, Shepard R, Harrison RJ (1993) Theor Chim Acta 84:489
Cited by 25 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures;Journal of Chemical Theory and Computation;2023-10-04
2. Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations;The Journal of Chemical Physics;2017-11-14
3. Performance analysis of open-source distributed file systems for practical large-scale molecularab initio,density functional theory, and GW + BSE calculations;International Journal of Quantum Chemistry;2017-05-05
4. Optimizing the Four-Index Integral Transform Using Data Movement Lower Bounds Analysis;Proceedings of the 22nd ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming;2017-01-26
5. Performance characterization of global address space applications: a case study with NWChem;Concurrency and Computation: Practice and Experience;2011-11-13
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3