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Mulliken-Mezey fragmentation scheme

Note that the simplest, Mulliken-Mezey fragmentation scheme employed in the MEDLA method, and in the more advanced macromolecular density matrix approach of the ADMA method [34-37], corresponds to the special choice of v/y =... [Pg.119]

If the simplest, Mulliken-Mezey version of this fragmentation scheme is used, then... [Pg.34]


See other pages where Mulliken-Mezey fragmentation scheme is mentioned: [Pg.69]    [Pg.58]    [Pg.69]    [Pg.58]    [Pg.203]    [Pg.204]    [Pg.192]    [Pg.140]    [Pg.208]    [Pg.117]    [Pg.33]   
See also in sourсe #XX -- [ Pg.117 , Pg.119 ]




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Fragmentation schemes

Mulliken

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