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"DFTBaby: A software package for non-adiabatic molecular dynamics ..."

Alexander Humeniuk, Roland Mitric (2017)

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DOI: 10.1016/J.CPC.2017.08.012

access: closed

type: Journal Article

metadata version: 2020-02-21

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  - journals/cphysics/HumeniukM17
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  - https://dblp.org/rec/journals/cphysics/HumeniukM17
Alexander Humeniuk, Roland Mitric:
DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B). Comput. Phys. Commun. 221: 174-202 (2017)

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