(1s 2 5d 1 ) 2 D Na 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.803080 | 3.52869426 |
| 2 | 4d | 1.802134 | -8.79788843 |
| 3 | 5d | 1.800705 | 5.96343339 |
| 4 | 3d | 7.243131 | .00136459 |
| 5 | 5d | 11.724077 | -.00059957 |
| 6 | 4d | 33.832569 | .00001905 |
| ORB.ENERGY,a.u. | -1.621000 | ||
| NORM | .999996 | < R > | 3.831315 | < R2 > | 16.650143 | < 1/R > | .360359 | < 1/R**2 > | .260162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.465987 | .93791450 |
| 2 | 1s | 17.492565 | .04957691 |
| 3 | 2s | 13.606863 | .01671381 |
| 4 | 3s | 10.762461 | .00307656 |
| 5 | 4s | 31.890452 | -.00153627 |
| 6 | 5s | 38.131168 | .00062720 |
| 7 | 3s | 53.727625 | -.00008192 |
| ORB.ENERGY,a.u. | -53.421000 |
| NORM | 1.000000 | < R > | .141193 | < R2 > | .026701 | < 1/R > | 10.687369 | < 1/R**2 > | 230.223517 |
Total Energy= -115.85906829 a.u.
Kinetic Energy= 115.85670754 a.u.
Potential Energy= -231.71577583 a.u.
Virial Ratio = -2.00002038