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Electron localization function partition based

Distributed Electrostatic Moments Based on the Electron Localization Function Partition... [Pg.145]

The interpretation of quantum chemical calculations in terms of classical chemical concepts is not an easy task. In particular, electron transfer is strongly related to the definition of atoms and bonds in a molecular system. Beyond the simplistic picture of Lewis1 based on intuitive concepts, two different ways, trying to give quantitative information on the nature of chemical bond, cohabit. On the one hand, classical localization procedures of the wave function give different partitions of the Hilbert s space... [Pg.287]

See other pages where Electron localization function partition based is mentioned: [Pg.139]    [Pg.89]    [Pg.213]    [Pg.132]    [Pg.284]    [Pg.20]    [Pg.427]    [Pg.82]    [Pg.280]    [Pg.390]    [Pg.124]    [Pg.137]    [Pg.56]    [Pg.116]    [Pg.152]    [Pg.72]    [Pg.149]    [Pg.11]    [Pg.252]    [Pg.82]    [Pg.388]    [Pg.19]    [Pg.19]   
See also in sourсe #XX -- [ Pg.147 , Pg.148 ]



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Base function

Based Electronics

Electron functionalization

Electron localization

Electron localization function

Electron localization function , local

Electron localization function partition

Electron partitioning

Electronic-based

Function localization

Function-based

Local functionals

Localized functions

Localizing electrons

Partition electronic

Partition function electronic

Partitioning partition functions

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