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