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Correlated electron-ion dynamics with open boundaries: formalism.
Bowler DR, Horsfield AP, Sánchez CG, Todorov TN. Bowler DR, et al. Among authors: horsfield ap. J Phys Condens Matter. 2005 Jun 29;17(25):3985-95. doi: 10.1088/0953-8984/17/25/024. Epub 2005 Jun 10. J Phys Condens Matter. 2005. PMID: 21690713
Gaussian polarizable-ion tight binding.
Boleininger M, Guilbert AA, Horsfield AP. Boleininger M, et al. Among authors: horsfield ap. J Chem Phys. 2016 Oct 14;145(14):144103. doi: 10.1063/1.4964391. J Chem Phys. 2016. PMID: 27782521 Free article.
Implicit and explicit host effects on excitons in pentacene derivatives.
Charlton RJ, Fogarty RM, Bogatko S, Zuehlsdorff TJ, Hine NDM, Heeney M, Horsfield AP, Haynes PD. Charlton RJ, et al. Among authors: horsfield ap. J Chem Phys. 2018 Mar 14;148(10):104108. doi: 10.1063/1.5017285. J Chem Phys. 2018. PMID: 29544310 Free article.
The microscopic Einstein-de Haas effect.
Wells T, Horsfield AP, Foulkes WMC, Dudarev SL. Wells T, et al. Among authors: horsfield ap. J Chem Phys. 2019 Jun 14;150(22):224109. doi: 10.1063/1.5092223. J Chem Phys. 2019. PMID: 31202242 Free article.
43 results