(1s 1 5s 1 ) 1 S He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
j | S nl j (α j ,r) | C j | |
nl j | α j | 5s- electron | |
1 | 1s | 2.544274 | .01200110 |
2 | 2s | .208786 | -3.65311774 |
3 | 3s | .290504 | 5.16998425 |
4 | 4s | .193479 | -8.68747937 |
5 | 5s | .206180 | 8.25307882 |
6 | 2s | 1.463786 | .04593224 |
7 | 5s | 4.995909 | .00057144 |
ORB.ENERGY,a.u. | -.022277 |
NORM | .999957 | < R > | 33.827971 | < R2 > | 1282.059523 | < 1/R > | .040921 | < 1/R**2 > | .006081 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 2.041138 | -.09513321 |
2 | 1s | 1.989623 | 1.10745053 |
3 | 2s | .646072 | -.00555496 |
4 | 3s | .148609 | .06178418 |
5 | 2s | 2.018564 | -.01273292 |
6 | 4s | .353953 | .01390945 |
7 | 5s | .289623 | -.06508928 |
8 | 2s | .082650 | -.00530241 |
ORB.ENERGY,a.u. | -1.942300 |
NORM | 1.000000 | < R > | .757050 | < R2 > | 1.078316 | < 1/R > | 2.001700 | < 1/R**2 > | 8.010820 |
Total Energy= -2.02243282 a.u.
Kinetic Energy= 2.02217585 a.u.
Potential Energy= -4.04460867 a.u.
Virial Ratio = -2.00012707