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Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics
Sandeep Sharma, Kantharuban Sivalingam, Frank Neese, Garnet Kin‐Lic Chan (2014). Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics. Nature Chemistry, 6(10), pp. 927-933, DOI: 10.1038/nchem.2041.
Article174 days agoRecent developments in the P<scp>y</scp>SCF program package
Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi‐Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Guo, Jan Hermann, Matthew R. Hermes, Kevin J. Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James McClain, Mário Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximilian Scheurer, Henry F. Schurkus, James E. T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec F. White, James Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Alexander Yu. Sokolov, Garnet Kin‐Lic Chan (2020). Recent developments in the P<scp>y</scp>SCF program package. , 153(2), DOI: https://doi.org/10.1063/5.0006074.
Article73 days ago