(1s 1 3s 1 ) 1 S He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
1 | 1s | 1.804127 | .04227210 |
2 | 2s | .333669 | -.61587236 |
3 | 3s | .365058 | 1.83257398 |
4 | 4s | 1.048577 | -.40007901 |
5 | 5s | .772616 | -.28698152 |
6 | 4s | 1.478874 | -.13150773 |
7 | 5s | 1.549691 | .08488531 |
8 | 3s | 18.941794 | .00000989 |
ORB.ENERGY,a.u. | -.066755 |
NORM | 1.000004 | < R > | 11.262208 | < R2 > | 144.090952 | < 1/R > | .115462 | < 1/R**2 > | .029675 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | .449282 | .13230578 |
2 | 1s | 2.006445 | .98513432 |
3 | 2s | .938912 | -.08977461 |
4 | 3s | .610181 | -.09270301 |
5 | 4s | .567417 | .04597851 |
6 | 5s | .426359 | .02332901 |
7 | 5s | 3.456487 | -.00046575 |
ORB.ENERGY,a.u. | -1.844500 |
NORM | 1.000000 | < R > | .758519 | < R2 > | .956344 | < 1/R > | 2.008816 | < 1/R**2 > | 8.056434 |
Total Energy= -2.06781881 a.u.
Kinetic Energy= 2.06657895 a.u.
Potential Energy= -4.13439776 a.u.
Virial Ratio = -2.00059996