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Density functional theory Mulliken population analysis

A condensed form of the MEP could be used, if we knew the net charge on each atom with certainty. But finding these charges, qk is a difficult, if not impossible, task since is is not well defined. The commonly used Mulliken population analysis has obvious deficiencies. Several dozen alternative methods, both theoretical and experimental, have been proposed.Density functional theory also offers a method, which has some advantages. [Pg.87]


See other pages where Density functional theory Mulliken population analysis is mentioned: [Pg.220]    [Pg.167]    [Pg.62]    [Pg.345]    [Pg.45]    [Pg.180]    [Pg.5]    [Pg.59]    [Pg.215]    [Pg.176]    [Pg.321]    [Pg.263]    [Pg.19]    [Pg.143]    [Pg.225]   
See also in sourсe #XX -- [ Pg.39 , Pg.345 , Pg.346 , Pg.347 , Pg.348 , Pg.349 ]




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Analysis theory

Density functional theory analysis

Functional analysis

Functions analysis

Mulliken

Mulliken population analysis

Mulliken populations

Mulliken theory

Population analysis

Population density

Population density analysis

Population density function

Population function

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