(1s 2 2s 2 2p 3 5d 1 ) 5 D F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | .555070 | 1.21114635 |
| 2 | 4d | .428102 | -3.86654702 |
| 3 | 5d | .396579 | 3.49414713 |
| 4 | 3d | 2.460125 | .02255108 |
| 5 | 4d | .308207 | -.13573549 |
| 6 | 5d | 1.939883 | .01801092 |
| 7 | 4d | 8.174261 | .00094804 |
| 8 | 5d | 11.208026 | -.00048067 |
| ORB.ENERGY,a.u. | -.082018 | ||
| NORM | 1.000015 | < R > | 16.725658 | < R2 > | 318.529871 | < 1/R > | .085067 | < 1/R**2 > | .016045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.517752 | .74396994 |
| 2 | 2p | 4.226610 | .26338005 |
| 3 | 2p | 8.750930 | .01859381 |
| 4 | 3p | 2.405256 | -.00157210 |
| 5 | 4p | 2.284963 | .02106700 |
| 6 | 5p | 11.116457 | .00328314 |
| 7 | 5p | 1.191413 | -.00018949 |
| ORB.ENERGY,a.u. | -2.183000 | ||
| NORM | 1.000000 | < R > | .878562 | < R2 > | .960463 | < 1/R > | 1.486593 | < 1/R**2 > | 3.108074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.557422 | .31098777 |
| 2 | 2s | 3.282835 | -.83033135 |
| 3 | 3s | 2.756666 | -.27106365 |
| 4 | 4s | 11.653918 | .00767523 |
| 5 | 3s | 11.540887 | .00785118 |
| 6 | 5s | 7.491108 | -.00764229 |
| 7 | 5s | 48.734846 | -.00004195 |
| 8 | 3s | 1.153458 | -.00019760 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .920731 | < R2 > | 1.009025 | < 1/R > | 1.565562 | < 1/R**2 > | 10.028809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.099761 | .85249111 |
| 2 | 1s | 11.747950 | .15442960 |
| 3 | 2s | 8.191259 | -.00552678 |
| 4 | 3s | 5.349602 | .00328000 |
| 5 | 4s | 17.424282 | .00387511 |
| 6 | 5s | 87.607594 | -.00000215 |
| 7 | 3s | 18.045775 | -.00007546 |
| 8 | 5s | 2.484619 | .00005514 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175512 | < R2 > | .041467 | < 1/R > | 8.636943 | < 1/R**2 > | 151.004413 |
Total Energy= -97.69076773 a.u.
Kinetic Energy= 97.69099982 a.u.
Potential Energy= -195.38176755 a.u.
Virial Ratio = -1.99999762