(1s 2 2s 2 2p 2 3d 1 ) 4 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 1.048322 | .93640273 |
| 2 | 5d | 1.020776 | .01687247 |
| 3 | 3d | 3.232809 | .04777194 |
| 4 | 4d | 2.357285 | .04321263 |
| 5 | 4d | 27.229122 | .00000797 |
| 6 | 5d | 9.597360 | -.00016350 |
| ORB.ENERGY,a.u. | -.519080 | ||
| NORM | 1.000000 | < R > | 3.237768 | < R2 > | 12.177749 | < 1/R > | .370185 | < 1/R**2 > | .172072 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.769807 | .78295865 |
| 2 | 2p | 4.514677 | .22288353 |
| 3 | 2p | 9.754877 | .01163998 |
| 4 | 3p | 1.686236 | .02568701 |
| 5 | 4p | 1.469167 | -.01096649 |
| 6 | 5p | 19.116904 | -.00041614 |
| 7 | 5p | 1.442647 | .00433334 |
| 8 | 4p | 10.752846 | .00167351 |
| ORB.ENERGY,a.u. | -2.759700 | ||
| NORM | 1.000000 | < R > | .822150 | < R2 > | .834237 | < 1/R > | 1.572203 | < 1/R**2 > | 3.434598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.455395 | .33175159 |
| 2 | 2s | 3.412499 | -.85043680 |
| 3 | 3s | 3.088951 | -.25877587 |
| 4 | 4s | 10.595779 | .01501187 |
| 5 | 3s | 11.929015 | .01055793 |
| 6 | 5s | 3.017897 | -.01316060 |
| 7 | 5s | 36.612561 | -.00009973 |
| 8 | 2s | 50.377518 | .00001485 |
| 9 | 4s | .946373 | -.00011004 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .882212 | < R2 > | .920742 | < 1/R > | 1.634602 | < 1/R**2 > | 10.882981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.279334 | .68785988 |
| 2 | 1s | 12.185633 | .22288124 |
| 3 | 1s | 2.698864 | .00560171 |
| 4 | 2s | 9.053685 | .12773094 |
| 5 | 3s | 10.136181 | -.02749391 |
| 6 | 4s | 16.984141 | .00344589 |
| 7 | 5s | 4.842697 | -.00124845 |
| 8 | 5s | 54.629775 | -.00002852 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175218 | < R2 > | .041292 | < 1/R > | 8.645696 | < 1/R**2 > | 151.236338 |
Total Energy= -95.83932573 a.u.
Kinetic Energy= 95.83871295 a.u.
Potential Energy= -191.67803867 a.u.
Virial Ratio = -2.00000639