The previous theoretical works on molecular crystals using ab initio methods (density functional theory, Hartree-Fock methods) and related semi-empirical methods have been reviewed.

 
  • 綜述了分子晶體從頭算(密度范函和Hartree-Fock方法)和相關(guān)半經(jīng)驗方法的理論研究工作。
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