A corpuscular picture of electrons in chemical bond.

作者: Koji Ando

DOI: 10.1063/1.4944827

关键词:

摘要: We introduce a theory of chemical bond with corpuscular picture electrons. It employs minimal set localized electron wave packets “floating and breathing” degrees freedom the spin-coupling non-orthogonal valence-bond theory. Its accuracy for describing potential energy curves bonds in ground excited states spin singlet triplet is examined.

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