(1s 1 5d 1 ) 1 D P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.800358 | 3.54902590 |
| 2 | 4d | 2.800200 | -8.84779553 |
| 3 | 5d | 2.799696 | 5.99409676 |
| 4 | 5d | 10.417183 | -.00024111 |
| 5 | 3d | 31.886387 | .00000913 |
| 6 | 4d | 17.348802 | -.00014376 |
| ORB.ENERGY,a.u. | -4.258500 | ||
| NORM | 1.000002 | < R > | 2.464682 | < R2 > | 6.889845 | < 1/R > | .559848 | < 1/R**2 > | .626643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.760710 | .88937572 |
| 2 | 1s | 17.406705 | .10545504 |
| 3 | 2s | 16.058463 | .01066144 |
| 4 | 3s | 15.670428 | -.00522719 |
| 5 | 4s | 23.785897 | .00000535 |
| 6 | 5s | 21.189669 | .00008604 |
| ORB.ENERGY,a.u. | -112.260000 |
| NORM | 1.000000 | < R > | .099999 | < R2 > | .013333 | < 1/R > | 15.000109 | < 1/R**2 > | 450.004929 |
Total Energy= -116.42799602 a.u.
Kinetic Energy= 116.41949731 a.u.
Potential Energy= -232.84749334 a.u.
Virial Ratio = -2.00007300