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Davidson-Fletcher-Powell method

DFP (Davidson-Fletcher-Powell) a geometry optimization algorithm DFT (density functional theory) a computational method based on the total electron density... [Pg.362]

It is not appropriate in this review to discuss the relative efficiency of minimization routines based on steepest descent procedures, but a few of the more important references are given. If the gradient can be evaluated analytically, and as McIver and Komomicki 25) have pointed out this is the case for many surfaces calculated by semi-empirical molecular orbital methods, then this is the best approach. The methods developed by Davidson 26), Fletcher and oweZZ (27), and AfurfagZz and Sargent 28) assume this to be the case. If the gradient has to be obtained numerically then the method developed by Powell 29) has found wide acceptance for its efficiency. [Pg.106]

See other pages where Davidson-Fletcher-Powell method is mentioned: [Pg.184]    [Pg.184]    [Pg.184]    [Pg.184]    [Pg.70]    [Pg.204]    [Pg.130]    [Pg.1139]    [Pg.70]    [Pg.219]   
See also in sourсe #XX -- [ Pg.388 ]



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Davidson-Fletcher-Powell

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Powellism

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