Next: 18.1.35 THGFL:
Up: 18.1 Density Functionals
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18.1.34 TH4:
D. J. Tozer and N. C. Handy, Mol. Phys. 94, 70 (1998)
Density an gradient dependent first and second row exchange-correlation
functional of the form TH2 but with
![\begin{displaymath}
u
=
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0]
,\end{displaymath}](img504.gif) |
(191) |
![\begin{displaymath}
v
=
[0,0,0,0,1,1,1,1,2,2,2,0,0,0,0,0,0,0,0]
,\end{displaymath}](img505.gif) |
(192) |
![\begin{displaymath}
w
=
[0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0]
\end{displaymath}](img506.gif) |
(193) |
and
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002