论文信息 - Bond orders and valences from ab initio wave functions

Bond orders and valences from ab initio wave functions

The definition and properties of the bond order and valence indices calculated from ab initio wave functions are summarized. Their physical interpretation relationships to the exchange effects in bonding and generalization to correlated wave functions are also discussed. Some examples with typical bond order and valence values are shown.

István Mayer | I. Mayer

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