"An efficient optimization algorithm that hybridizes DFTB and DFT theories ..."

San Kiong Lai, Wafa Maftuhin (2019)

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DOI: 10.1016/J.CPC.2018.10.027

access: closed

type: Journal Article

metadata version: 2022-10-02

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San Kiong Lai, Wafa Maftuhin:
An efficient optimization algorithm that hybridizes DFTB and DFT theories both operated within the modified basin hopping method. Comput. Phys. Commun. 236: 164-175 (2019)

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