(1s 2 5d 1 ) 2 D P 12+
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 | 2.602982 | 3.53553449 |
| 2 | 4d | 2.602134 | -8.81737196 |
| 3 | 5d | 2.600844 | 5.97635901 |
| 4 | 3d | 10.256089 | .00110905 |
| 5 | 5d | 16.627430 | -.00047106 |
| 6 | 4d | 47.933738 | .00001370 |
| ORB.ENERGY,a.u. | -3.382600 | ||
| NORM | 1.000001 | < R > | 2.652701 | < R2 > | 7.981636 | < 1/R > | .520427 | < 1/R**2 > | .542430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.430940 | .93850591 |
| 2 | 1s | 22.829701 | .04913071 |
| 3 | 2s | 17.526251 | .01708348 |
| 4 | 3s | 13.466977 | .00073022 |
| 5 | 4s | 50.894292 | -.00068551 |
| 6 | 5s | 62.964142 | .00022554 |
| 7 | 3s | 87.510917 | -.00002882 |
| ORB.ENERGY,a.u. | -102.950000 |
| NORM | 1.000000 | < R > | .102571 | < R2 > | .014074 | < 1/R > | 14.687348 | < 1/R**2 > | 433.879866 |
Total Energy= -219.12059393 a.u.
Kinetic Energy= 219.11727206 a.u.
Potential Energy= -438.23786599 a.u.
Virial Ratio = -2.00001516