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Population Analysis of the Wavefunction

Viewed from our perspective, population analysis attempts to model the external molecular electric potential by defining net atomic charges with [Pg.225]

Some specific problems with PA can be enumerated.(1) It is not always correct to equally partition the electron cloud overlap between atoms i [Pg.226]

There have been many efforts to improve the PA method, but none has been completely successful. To solve the allocation of the 2C, S, Christoffer- [Pg.226]


See other pages where Population Analysis of the Wavefunction is mentioned: [Pg.384]    [Pg.225]    [Pg.225]   


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