(1s 2 2s 2 2p 4 3d 1 ) 2 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | .341543 | .97262524 |
| 2 | 3d | 3.094776 | .00067923 |
| 3 | 4d | 1.098854 | .00174236 |
| 4 | 5d | .363839 | .03158038 |
| 5 | 5d | 16.878209 | .00000412 |
| ORB.ENERGY,a.u. | -.056104 | ||
| NORM | 1.000000 | < R > | 10.373840 | < R2 > | 123.133724 | < 1/R > | .112649 | < 1/R**2 > | .015269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.210727 | .67414984 |
| 2 | 2p | 3.946212 | .31802974 |
| 3 | 2p | 9.773485 | .01600165 |
| 4 | 3p | 1.545482 | .05702381 |
| 5 | 4p | 9.483173 | .01357297 |
| 6 | 4p | .930684 | -.04115681 |
| 7 | 3p | 12.504752 | .00316053 |
| 8 | 5p | 1.037748 | .03311715 |
| ORB.ENERGY,a.u. | -1.049500 | ||
| NORM | 1.000000 | < R > | .969905 | < R2 > | 1.195347 | < 1/R > | 1.377789 | < 1/R**2 > | 2.732027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.458176 | .30448289 |
| 2 | 2s | 3.294718 | -.83973841 |
| 3 | 3s | 2.611468 | -.32127832 |
| 4 | 4s | 4.930154 | .03216735 |
| 5 | 3s | 8.537083 | .02800724 |
| 6 | 5s | 18.551308 | .00091767 |
| 7 | 5s | 2.311044 | -.00570687 |
| 8 | 3s | 31.892312 | -.00006032 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960932 | < R2 > | 1.108649 | < 1/R > | 1.503339 | < 1/R**2 > | 9.296188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230769 | .87160059 |
| 2 | 1s | 12.228975 | .12114679 |
| 3 | 1s | 9.982447 | .00306473 |
| 4 | 2s | 6.017148 | .01815992 |
| 5 | 3s | 8.227937 | -.00758156 |
| 6 | 4s | 17.128534 | .00295463 |
| 7 | 5s | 51.622228 | -.00004092 |
| 8 | 5s | 4.223761 | .00045797 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632447 | < 1/R**2 > | 150.887207 |
Total Energy= -98.88829631 a.u.
Kinetic Energy= 98.88781931 a.u.
Potential Energy= -197.77611561 a.u.
Virial Ratio = -2.00000482