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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