490
N. C. Bacalis
Fig. 13.5 Main orbitals of
the 27-term (solid line) and
8-term (dashed line) optimal
wave functions. (a) Ground
state 1s 2 . (b) HUM excited
state 1s1s (either a = 0, or
a ≈ 0 as explained in the text,
compared to 1s 2 . (c) F 1
excited state 1s2s compared
to 1s 2 . (d) Lowest orthogonal
to φ 0 (OO)
1
2
3
4
5
0.05
0.10
0.15
0.20
0.25
a
b
c
d
2
4
6
8
1 0
1 2
0.05
0.10
0.15
0.20
0.25
2
4
6
8
10
12
0.1
0.1
0.2
0.3
2
0
4
6
8
1 0
12
-0.1
0.1
0.2
0.3
r (a.u.)