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10.1063/5.0006074
Recent developments in the PySCF program package
10.1063/5.0006074
https://doi.org/10.1063/5.0006074
AM
doi:10.1063/5.0006074
The Journal of Chemical Physics
application/pdf
AIP Publishing, LLC
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 Yu. Sokolov
Garnet Kin-Lic Chan
J. Chem. Phys. 2020.153:024109
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