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$^{nd}$ row anions and H-bonded dimers.

\begin{displaymath}
A
=
[ 0.51473, 6.9298,- 24.707, 23.110,- 11.323]
,\end{displaymath} (72)


\begin{displaymath}
B
=
[ 0.48951,- 0.2607, 0.4329,- 1.9925, 2.4853]
,\end{displaymath} (73)


\begin{displaymath}
C
=
[ 1.09163,- 0.7472, 5.0783,- 4.1075, 1.1717]
\end{displaymath} (74)

and
\begin{displaymath}
\lambda
=
[ 0.006, 0.2, 0.004]
.\end{displaymath} (75)



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