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Recent developments in the PySCF program package.
Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, Koh K, Koval P, Lehtola S, Li Z, Liu J, Mardirossian N, McClain JD, Motta M, Mussard B, Pham HQ, Pulkin A, Purwanto W, Robinson PJ, Ronca E, Sayfutyarova ER, Scheurer M, Schurkus HF, Smith JET, Sun C, Sun SN, Upadhyay S, Wagner LK, Wang X, White A, Whitfield JD, Williamson MJ, Wouters S, Yang J, Yu JM, Zhu T, Berkelbach TC, Sharma S, Sokolov AY, Chan GK. Sun Q, et al. Among authors: whitfield jd. J Chem Phys. 2020 Jul 14;153(2):024109. doi: 10.1063/5.0006074. J Chem Phys. 2020. PMID: 32668948
Limitations of Hartree-Fock with quantum resources.
Gulania S, Whitfield JD. Gulania S, et al. Among authors: whitfield jd. J Chem Phys. 2021 Jan 28;154(4):044112. doi: 10.1063/5.0018415. J Chem Phys. 2021. PMID: 33514080
Computational complexity in electronic structure.
Whitfield JD, Love PJ, Aspuru-Guzik A. Whitfield JD, et al. Phys Chem Chem Phys. 2013 Jan 14;15(2):397-411. doi: 10.1039/c2cp42695a. Epub 2012 Nov 22. Phys Chem Chem Phys. 2013. PMID: 23172634