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A deep understanding of intermolecular interactions within an ab initio framework in various environments is vital for chemistry and life science etc.The LMO-EDA method provides analysis for open or close shell interaction systems in gas phase using Hartree-Fock (HF) orbitals or Kohn-Sham (KS) orbitals.[1] With frozen monomers geometries, the method divides the interaction energy into electrostatic, exchange, repulsion, polarization, and dispersion terms.The LMO-EDA method has been widely used for various kinds of weak and strong interactions.