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Pople-Hehre algorithm

Whereas the principal concern expressed in the paper by Pople and Hehre [50] was extremely high efficiency for a limited set of integral classes, the main emphasis of McMurchie and Davidson was generality and extendability. Not surprisingly, then, their respective algorithms are, to a large degree, complementary. [Pg.166]

See other pages where Pople-Hehre algorithm is mentioned: [Pg.142]    [Pg.162]    [Pg.142]    [Pg.162]    [Pg.172]    [Pg.12]    [Pg.54]    [Pg.258]    [Pg.149]    [Pg.11]   
See also in sourсe #XX -- [ Pg.162 ]



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