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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 119, 2021 - Issue 21-22: Special Issue of Molecular Physics in Honour of John Stanton
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John Stanton Special Issue: Theory Meets Experiment

Energy correction and analytic energy gradients due to triples in CCSD(T) with spin–orbit coupling on graphic processing units using single-precision data

Minggang Guoa Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology, Ministry of Education, Sichuan University, Chengdu, People’s Republic of ChinaView further author information
,
Zhifan Wangb College of Chemistry and Life Science, Chengdu Normal University, Chengdu, People’s Republic of China;c School of Electronic Engineering, Chengdu Technological University, Chengdu, People’s Republic of ChinaView further author information
,
Yanzhao Lua Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology, Ministry of Education, Sichuan University, Chengdu, People’s Republic of ChinaView further author information
&
Fan Wanga Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology, Ministry of Education, Sichuan University, Chengdu, People’s Republic of ChinaCorrespondence[email protected]
View further author information
Article: e1974591 | Received 11 Jun 2021, Accepted 18 Aug 2021, Published online: 07 Sep 2021

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