Next: 18.1.33 TH3:
Up: 18.1 Density Functionals
Previous: 18.1.31 TH1:
18.1.32 TH2:
D. J. Tozer and N. C. Handy, J. Chem. Phys. 102, 3162 (1998)
Density and gradient dependent first row exchange-correlation functional of
the form TH1 but with
 |
(179) |
![\begin{displaymath}
u
=
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1]
,\end{displaymath}](img495.gif) |
(181) |
![\begin{displaymath}
v
=
[0,0,0,0,0,1,1,1,1,2,2,2,0,0,0,0,0,0,0]
,\end{displaymath}](img496.gif) |
(182) |
![\begin{displaymath}
w
=
[0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0]
\end{displaymath}](img497.gif) |
(183) |
and
Next: 18.1.33 TH3:
Up: 18.1 Density Functionals
Previous: 18.1.31 TH1:
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002