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"Adaptive local basis set for Kohn-Sham density functional theory in a ..."
Gaigong Zhang et al. (2017)
- Gaigong Zhang, Lin Lin, Wei Hu
, Chao Yang, John E. Pask:
Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations. J. Comput. Phys. 335: 426-443 (2017)
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