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Page 1
Spin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd2Os2O7.
Calder S, Vale JG, Bogdanov NA, Liu X, Donnerer C, Upton MH, Casa D, Said AH, Lumsden MD, Zhao Z, Yan JQ, Mandrus D, Nishimoto S, van den Brink J, Hill JP, McMorrow DF, Christianson AD. Calder S, et al. Among authors: bogdanov na. Nat Commun. 2016 Jun 7;7:11651. doi: 10.1038/ncomms11651. Nat Commun. 2016. PMID: 27273216 Free PMC article.
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: bogdanov na. J Chem Phys. 2020 Jul 14;153(2):024109. doi: 10.1063/5.0006074. J Chem Phys. 2020. PMID: 32668948
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods.
Guther K, Anderson RJ, Blunt NS, Bogdanov NA, Cleland D, Dattani N, Dobrautz W, Ghanem K, Jeszenszki P, Liebermann N, Manni GL, Lozovoi AY, Luo H, Ma D, Merz F, Overy C, Rampp M, Samanta PK, Schwarz LR, Shepherd JJ, Smart SD, Vitale E, Weser O, Booth GH, Alavi A. Guther K, et al. Among authors: bogdanov na. J Chem Phys. 2020 Jul 21;153(3):034107. doi: 10.1063/5.0005754. J Chem Phys. 2020. PMID: 32716189
The color center singlet state of oxygen vacancies in TiO2.
Chen J, Bogdanov NA, Usvyat D, Fang W, Michaelides A, Alavi A. Chen J, et al. Among authors: bogdanov na. J Chem Phys. 2020 Nov 28;153(20):204704. doi: 10.1063/5.0030658. J Chem Phys. 2020. PMID: 33261489
36 results