Next:
19.1.22 PBE: PBE =
Up:
19.1 Density Functionals
Previous:
19.1.20 MK00B: Exchange Functional
19.1.21
P86
:
J. P. Perdew, Phys. Rev. B 33, 8822 (1986)
VWN
with gradient correction.
(95)
where
(96)
(97)
(98)
(99)
(100)
(101)
(102)
(103)
(104)
(105)
(106)
(107)
(108)
(109)
(110)
(111)
(112)
(113)
(114)
(115)
(116)
(117)
and
(118)
Next:
19.1.22 PBE: PBE =
Up:
19.1 Density Functionals
Previous:
19.1.20 MK00B: Exchange Functional
molpro@molpro.net
Feb 26, 2003