Next: 18.1.16 HCTH147:
Up: 18.1 Density Functionals
Previous: 18.1.14 HCTH93:
18.1.15 HCTH120:
A. D. Boese, N. L. Doltsinis, N. C. Handy and M. Sprik, J. Chem. Phys. 112, 1670 (2000)
HTCH optimized on a set of 120 training systems extending the set of HCTH93
to include Anionic atoms and molecules, 2
row anions and H-bonded
dimers.
![\begin{displaymath}
A
=
[ 0.51473, 6.9298,- 24.707, 23.110,- 11.323]
,\end{displaymath}](img376.gif) |
(72) |
![\begin{displaymath}
B
=
[ 0.48951,- 0.2607, 0.4329,- 1.9925, 2.4853]
,\end{displaymath}](img377.gif) |
(73) |
![\begin{displaymath}
C
=
[ 1.09163,- 0.7472, 5.0783,- 4.1075, 1.1717]
\end{displaymath}](img378.gif) |
(74) |
and
![\begin{displaymath}
\lambda
=
[ 0.006, 0.2, 0.004]
.\end{displaymath}](img379.gif) |
(75) |
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002