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Ab initio two-component Ehrenfest dynamics.
Ding F, Goings JJ, Liu H, Lingerfelt DB, Li X. Ding F, et al. Among authors: lingerfelt db. J Chem Phys. 2015 Sep 21;143(11):114105. doi: 10.1063/1.4930985. J Chem Phys. 2015. PMID: 26395685
Direct ab Initio (Meta-)Surface-Hopping Dynamics.
Lingerfelt DB, Williams-Young DB, Petrone A, Li X. Lingerfelt DB, et al. J Chem Theory Comput. 2016 Mar 8;12(3):935-45. doi: 10.1021/acs.jctc.5b00697. Epub 2016 Feb 23. J Chem Theory Comput. 2016. PMID: 26855086
Ab Initio Transient Vibrational Spectral Analysis.
Petrone A, Lingerfelt DB, Williams-Young DB, Li X. Petrone A, et al. Among authors: lingerfelt db. J Phys Chem Lett. 2016 Nov 17;7(22):4501-4508. doi: 10.1021/acs.jpclett.6b02292. Epub 2016 Oct 31. J Phys Chem Lett. 2016. PMID: 27788583
Ab Initio Excited-State Transient Raman Analysis.
Petrone A, Williams-Young DB, Lingerfelt DB, Li X. Petrone A, et al. Among authors: lingerfelt db. J Phys Chem A. 2017 May 25;121(20):3958-3965. doi: 10.1021/acs.jpca.7b02905. Epub 2017 May 12. J Phys Chem A. 2017. PMID: 28467699
22 results