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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
2小时前
待确认
Special Points for Brillouin-zone Integrations
3小时前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
3小时前
已完结
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
3小时前
已完结
From ultrasoft pseudopotentials to the projector augmented-wave method
3小时前
已完结
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