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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: yang j. J Chem Phys. 2020 Jul 14;153(2):024109. doi: 10.1063/5.0006074. J Chem Phys. 2020. PMID: 32668948
The orbital-specific-virtual local coupled cluster singles and doubles method.
Yang J, Chan GK, Manby FR, Schütz M, Werner HJ. Yang J, et al. J Chem Phys. 2012 Apr 14;136(14):144105. doi: 10.1063/1.3696963. J Chem Phys. 2012. PMID: 22502499 Free article.
We extend the orbital-specific-virtual tensor factorization, introduced for local Moller-Plesset perturbation theory in Ref. [J. Yang, Y. Kurashige, F. R. Manby and G. K. L. Chan, J. Chem. ...The method is implemented by modifying an efficient projected-atomi …
We extend the orbital-specific-virtual tensor factorization, introduced for local Moller-Plesset perturbation theory in Ref. [J. Y …
The ab-initio density matrix renormalization group in practice.
Olivares-Amaya R, Hu W, Nakatani N, Sharma S, Yang J, Chan GK. Olivares-Amaya R, et al. Among authors: yang j. J Chem Phys. 2015 Jan 21;142(3):034102. doi: 10.1063/1.4905329. J Chem Phys. 2015. PMID: 25612684 Free article.
85,099 results
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