Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2017

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hal-02143323 , version 1 (29-05-2019)

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Stephan Mohr, William Dawson, Michael Wagner, Damien Caliste, Takahito Nakajima, et al.. Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library. Journal of Chemical Theory and Computation, 2017, 13 (10), pp.4684-4698. ⟨10.1021/acs.jctc.7b00348⟩. ⟨hal-02143323⟩
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