Periodic boundary conditions in ab initio calculations.

作者: G. Makov , M. C. Payne

DOI: 10.1103/PHYSREVB.51.4014

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摘要: … in calculations using periodic boundary conditions is considered in the context of periodic solids and localized aperiodic systems in the gas and condensed phases. Conditions for the …

参考文章(12)
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