Localized Atomic and Molecular Orbitals
作者： Clyde Edmiston , Klaus Ruedenberg
DOI: 10.1103/REVMODPHYS.35.457
关键词: Molecular physics 、 Molecular orbital 、 Localized molecular orbitals 、 Linear combination of atomic orbitals 、 Physics 、 Molecular orbital theory 、 Natural bond orbital 、 Orbital hybridisation 、 Slater-type orbital 、 Valence bond theory
摘要: … We propose that the name "localized molecular orbitals (LMO's)" be used for these orbitals. … correlation energy E,.„of an atomic or molecular system may be de6ned asthe difference be…
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