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A Real-Time Time-Dependent Density Functional Tight-Binding..:
Bonafé, Franco P.
;
Aradi, Bálint
;
Hourahine, Ben
...
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4454-4469 , 2020
Link:
https://doi.org/10.1021/acs.jctc.9b01217
RT Journal T1 <Title>A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.9b01217&Exemplar=1&LAN=DE A1 Bonafé, Franco P. A1 Aradi, Bálint A1 Hourahine, Ben A1 Medrano, Carlos R. A1 Hernández, Federico J. A1 Frauenheim, Thomas A1 Sánchez, Cristián G. PB American Chemical Society (ACS) YR 2020 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 16 IS 7 SP 4454 OP 4469 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.9b01217 DO https://doi.org/10.1021/acs.jctc.9b01217 SF ELIB - SuUB Bremen
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