(1s 2 4s 1 ) 2 S C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 4.927870 | .11284753 |
| 2 | 2s | 1.206786 | -1.41140655 |
| 3 | 3s | 1.041067 | 4.73869148 |
| 4 | 4s | 1.043065 | -4.25102302 |
| 5 | 5s | 1.752278 | .24969785 |
| 6 | 4s | 3.408763 | -.09594931 |
| 7 | 4s | 9.010475 | .00471518 |
| 8 | 5s | 24.532861 | .00013356 |
| ORB.ENERGY,a.u. | -.541000 | ||
| NORM | 1.000000 | < R > | 5.551964 | < R2 > | 34.680840 | < 1/R > | .263198 | < 1/R**2 > | .552071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.227575 | .71478127 |
| 2 | 1s | 8.144921 | .22996806 |
| 3 | 2s | 6.413199 | .08056019 |
| 4 | 3s | 6.550171 | -.01349607 |
| 5 | 4s | 10.672029 | .00544567 |
| 6 | 5s | 41.276336 | -.00003570 |
| 7 | 5s | 6.044715 | -.00129508 |
| ORB.ENERGY,a.u. | -14.091000 |
| NORM | 1.000000 | < R > | .266806 | < R2 > | .095742 | < 1/R > | 5.686747 | < 1/R**2 > | 65.639868 |
Total Energy= -32.90206350 a.u.
Kinetic Energy= 32.90206001 a.u.
Potential Energy= -65.80412351 a.u.
Virial Ratio = -2.00000011