固体量子化学
作者:叶瓦列斯托夫 整理日期:2022-12-08 16:08:52
itistraditionalforquantumtheoryofmolecularsystems(molecularquantumchemistry)todescribethepropertiesofamany-atomsystemonthegroundsofin-teratomicinteractionsapplyingthelinearcombinationofatomicorbitals(lcao)approximationintheelectronic-structurecalculations.thebasisofthetheoryoftheelectronicstructureofsolidsistheperiodicityofthecrystallinepotentialandbloch-typeone-electronstates,inthemajorityofcasesapproximatedbyalinearcombina-tionofplanewaves(lcpw).
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