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The Becke Exchange correction

One of the most important deficiencies of the LDA exchange is that is does not have the correct asymptotic behaviour. Becke (1988a) recognized that it was [Pg.225]

It has one adjustable parameter which was chosen so that the sum of the LDA and Becke exchange terms accurately reproduce the exchange energies of six noble gas atoms. [Pg.226]

Becke formulated the following gradient-corrected exchange functional based on the LDA exchange functional in 1988, which is now in wide use ... [Pg.273]

See other pages where The Becke Exchange correction is mentioned: [Pg.225] [Pg.225] [Pg.297] [Pg.225] [Pg.225] [Pg.297] [Pg.191] [Pg.403] [Pg.125] [Pg.161] [Pg.163] [Pg.144] [Pg.175] [Pg.107] [Pg.158] [Pg.25] [Pg.304] [Pg.203] [Pg.102] [Pg.206] [Pg.125] [Pg.161] [Pg.163] [Pg.95] [Pg.137] [Pg.234] [Pg.144] [Pg.353] [Pg.353] [Pg.2182] [Pg.155] [Pg.502] [Pg.502] [Pg.275] [Pg.98] [Pg.100] [Pg.139] [Pg.180] [Pg.237] [Pg.259] [Pg.690] [Pg.711] [Pg.284] [Pg.229] [Pg.108] [Pg.378] [Pg.378] [Pg.403] [Pg.403]

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Becke

Becke exchange