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Up: 19.1 Density Functionals
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19.1.16 HCTH147:
A. D. Boese, N. L. Doltsinis, N. C. Handy and M. Sprik, J. Chem. Phys. 112, 1670 (2000)
HTCH optimized on a further extended set of 147 training systems.
![\begin{displaymath}
A
=
[ 0.54235, 7.0146,- 28.382, 35.033,- 20.428]
,\end{displaymath}](img382.gif) |
(76) |
![\begin{displaymath}
B
=
[ 0.56258,- 0.0171,- 1.3064, 1.0575, 0.8854]
,\end{displaymath}](img383.gif) |
(77) |
![\begin{displaymath}
C
=
[ 1.09025,- 0.7992, 5.5721,- 5.8676, 3.0454]
\end{displaymath}](img384.gif) |
(78) |
and
![\begin{displaymath}
\lambda
=
[ 0.006, 0.2, 0.004]
.\end{displaymath}](img381.gif) |
(79) |
molpro@molpro.net
Feb 26, 2003