【课程内容】1.Concept of first-principles (ab initio) method；2.Effective potential and Hartree-Fock method；3.Hohenberg-Kohn theorems；4.Kohn-Sham equation；5.LDA and GGA；6.Planewave basis；7.Pseudopotential；8.Accuracy and limitation of DFT calculations 专家讲坛-赵纪军-第一性原理计算的理论基础1
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