Editorial: Fragment-based electronic structure methods for solids.

Oleksandr Loboda,Peter Strizhak,Robert W Góra,Ctirad Cervinka

Frontiers in chemistry（2023）

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摘要

EDITORIAL article Front. Chem., 23 February 2023Sec. Theoretical and Computational Chemistry Volume 11 - 2023 | https://doi.org/10.3389/fchem.2023.1165201

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关键词

DFT,GIPAW,NMR,fragment approach,embedding models,molecular crystals,ionic solids

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