SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671)
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scientific article
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| English | SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters |
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SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (English)
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19 December 2017
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electronic structure
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real-space methods
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finite-difference methods
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electrostatics
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atomic forces
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parallel computing
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0.9392136931419371
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0.7300611138343811
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0.7287867069244385
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0.7228053212165833
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