Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation
Henry Schurkus and Christian Ochsenfeld
J. Chem. Phys. 144, 031101 (2016)
Henry Schurkus and Christian Ochsenfeld
J. Chem. Phys. 144, 031101 (2016)
Vanishing-Overhead Linear-Scaling Random Phase Approximation by Cholesky Decomposition and an Attenuated Coulomb-Metric
Arne Luenser, Henry Schurkus, Christian Ochsenfeld
J. Chem. Theory Comput. 13, 1647 (2017)
Arne Luenser, Henry Schurkus, Christian Ochsenfeld
J. Chem. Theory Comput. 13, 1647 (2017)
Communication: Almost error-free resolution-of-the-identity correlation methods by null space
removal of the particle-hole interactions
Henry Schurkus, Arne Luenser, Christian Ochsenfeld
J. Chem. Phys. 146, 211106 (2017)
Henry Schurkus, Arne Luenser, Christian Ochsenfeld
J. Chem. Phys. 146, 211106 (2017)
Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalism
Matthias Beuerle, Daniel Graf, Henry Schurkus, and Christian Ochsenfeld
J. Chem. Phys. 148, 204104 (2018)
Matthias Beuerle, Daniel Graf, Henry Schurkus, and Christian Ochsenfeld
J. Chem. Phys. 148, 204104 (2018)
Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method
Daniel Graf, Matthias Beuerle, Henry F. Schurkus, Arne Luenser, Gökcen Savasci, and Christian Ochsenfeld
J. Chem. Theory Comput. 14, 2505 (2018)
Daniel Graf, Matthias Beuerle, Henry F. Schurkus, Arne Luenser, Gökcen Savasci, and Christian Ochsenfeld
J. Chem. Theory Comput. 14, 2505 (2018)
Exploring the Magnetic Properties of the Largest Single-Molecule Magnets
Henry F. Schurkus, Dianteng Chen, Matthew J. O’Rourke, Hai-Ping Cheng, and Garnet K.-L. Chan
J. Phys. Chem. Lett. 11, 3789 (2020)
Henry F. Schurkus, Dianteng Chen, Matthew J. O’Rourke, Hai-Ping Cheng, and Garnet K.-L. Chan
J. Phys. Chem. Lett. 11, 3789 (2020)
Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations
Henry Schurkus, Dian-Teng Chen, Hai-Ping Cheng, Garnet K.-L. Chan, and John Stanton
J. Chem. Phys. 152, 234115 (2020)
Henry Schurkus, Dian-Teng Chen, Hai-Ping Cheng, Garnet K.-L. Chan, and John Stanton
J. Chem. Phys. 152, 234115 (2020)
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, 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 Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. McClain, Mario 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 White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Y. Sokolov, and Garnet K.-L. Chan
J. Chem. Phys. 153, 024109 (2020)
Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, 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 Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. McClain, Mario 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 White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Y. Sokolov, and Garnet K.-L. Chan
J. Chem. Phys. 153, 024109 (2020)