A grid-based Bader analysis algorithm without lattice bias
作者： W Tang , E Sanville , G Henkelman
DOI: 10.1088/0953-8984/21/8/084204
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摘要: … Each Bader volume contains a single charge density maximum, and is separated from other … one Bader volume for each atom, but this is not required; there are cases in which Bader …
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sci-hub.se 参考文章(24)
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