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Up: 19.1 Density Functionals
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19.1.34 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
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u
=
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0]
,\end{displaymath}](img506.gif) |
(191) |
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v
=
[0,0,0,0,1,1,1,1,2,2,2,0,0,0,0,0,0,0,0]
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(192) |
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w
=
[0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0]
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(193) |
and
molpro@molpro.net
Feb 26, 2003