Next: 18.1.39 VSXC: Up: 18.1 Density Functionals Previous: 18.1.37 THGFCFO:


18.1.38 THGFCO:

D. J. Tozer, N. C. Handy and W. H. Green, Chem. Phys. Lett. 273, 183 (1997)

Density and gradient dependent first row exchange-correlation functional of the form FCFO but fitted to a training both set of open- and closed-shell systems.


$\displaystyle \omega =$ $\textstyle [- 0.962998, 0.860233,- 1.54092, 0.381602,- 0.210208,$    
  $\textstyle 0.391496,- 0.107660,- 0.0105324, 0.00837384,- 0.0617859,$    
  $\textstyle 0.0383072,- 0.00526905,- 0.00381514, 0.0321541,- 0.0568280,$    
  $\textstyle 0.0288585, 0.368326,- 0.328799,- 1.22595, 1.36412] .$   (218)


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002