Next: 18.1.40 VWN: Vosko-Wilk-Nusair (1980)
Up: 18.1 Density Functionals
Previous: 18.1.38 THGFCO:
18.1.39 VSXC:
T. Van Voorhis and G. E. Scuseria, J. Chem. Phys. 109, 400 (1998)
where
 |
(220) |
 |
(221) |
 |
(222) |
 |
(223) |
 |
(224) |
 |
(225) |
 |
(226) |
![\begin{displaymath}
p
=
[- 0.98, 0.3271, 0.7035]
,\end{displaymath}](img553.gif) |
(227) |
![\begin{displaymath}
q
=
[- 0.003557,- 0.03229, 0.007695]
,\end{displaymath}](img554.gif) |
(228) |
![\begin{displaymath}
r
=
[ 0.00625,- 0.02942, 0.05153]
,\end{displaymath}](img555.gif) |
(229) |
![\begin{displaymath}
t
=
[- 0.00002354, 0.002134, 0.00003394]
,\end{displaymath}](img556.gif) |
(230) |
![\begin{displaymath}
u
=
[- 0.0001283,- 0.005452,- 0.001269]
,\end{displaymath}](img557.gif) |
(231) |
![\begin{displaymath}
v
=
[ 0.0003575, 0.01578, 0.001296]
,\end{displaymath}](img558.gif) |
(232) |
![\begin{displaymath}
\alpha
=
[ 0.001867, 0.005151, 0.00305]
\end{displaymath}](img559.gif) |
(233) |
and
is the correlation energy per particle of the
Local Spin Density Approximation(PW92C).
VS99 is aliased to VSXC.
Next: 18.1.40 VWN: Vosko-Wilk-Nusair (1980)
Up: 18.1 Density Functionals
Previous: 18.1.38 THGFCO:
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002