(1s 1 5d 1 ) 3 D Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 3.399458 | 3.55290679 |
| 2 | 4d | 3.400201 | -8.86678877 |
| 3 | 5d | 3.401208 | 6.00621886 |
| 4 | 3d | 14.291324 | .00062076 |
| 5 | 5d | 23.388844 | -.00021988 |
| 6 | 4d | 2.530483 | .00275925 |
| ORB.ENERGY,a.u. | -6.484600 | ||
| NORM | 1.000001 | < R > | 2.028801 | < R2 > | 4.668656 | < 1/R > | .680396 | < 1/R**2 > | .926744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.774306 | .88945521 |
| 2 | 1s | 20.407096 | .10537740 |
| 3 | 2s | 17.908591 | .01065111 |
| 4 | 3s | 18.724241 | -.00513874 |
| 5 | 4s | 29.244032 | .00001581 |
| 6 | 5s | 26.804017 | .00001178 |
| ORB.ENERGY,a.u. | -162.000000 |
| NORM | 1.000000 | < R > | .083336 | < R2 > | .009260 | < 1/R > | 17.999706 | < 1/R**2 > | 647.984161 |
Total Energy= -167.78999624 a.u.
Kinetic Energy= 167.78143918 a.u.
Potential Energy= -335.57143542 a.u.
Virial Ratio = -2.00005100