MOLPRO

C DENSITY FUNCTIONAL DESCRIPTIONS 437
ε (α,β)
= e(r (α,β),T 1 ,U 1 ,V 1 ,W 1 ,X 1 ,Y 1 ,P 1 )
− e(r (α,β),T 3,U 3 ,V 3 ,W 3 ,X 3 ,Y 3 ,P 3 )ω (ζ (α,β)) ( 1 − (ζ (α,β)) 4)
c
+ (e(r (α,β),T 2 ,U 2 ,V 2 ,W 2 ,X 2 ,Y 2 ,P 2 )
− e(r (α,β),T 1 ,U 1 ,V 1 ,W 1 ,X 1 ,Y 1 ,P 1 ))ω (ζ (α,β))(ζ (α,β)) 4 ,
(331)
r (α,β)
√
= 1/4 3 √
34
2/3 3
1
(332)
π (α + β) ,
ζ (α,β)
(333)
= α − β
α + β ,
ω (z)
(334)
= (1 + z) 4/3 + (1 − z) 4/3 − 2
√ ,
2 3 2 − 2
e(r,t,u,v,w,x,y, p)
=
−2t (1
c = 1.709921,
C (d,α,β)
= K (Q,α,β)
+ M (Q,α,β),
M (d,α,β)
= 0.5ν (φ (r (α,β))
− κ
K (d,α,β)
− 3/7Z)d 2 e −335.9789467 32/3 d
3√
2
π 5 ρ
,
= 0.2500000000λ 2 ln
(
1
+ 1/2
(335)
(
+ ur)ln 1
)
1
t (v √ r + wr + xr 3/2 + yr p+1 ,
)
(336)
(337)
(338)
(339)
ι ( d 2 + N (α,β)d 4) )
+ 2
λ (1 + N (α,β)d 2 + (N (α,β)) 2 d 4 ι −1 ,
)
N (α,β)
(
(340)
= 2ιλ −1 ι ε(α,β)
−4
e λ 2 )
− 1
−1 ,