(1s 2 2s 1 5d 1 ) 1 D C 2+
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 | .698228 | 2.03919758 |
| 2 | 4d | .646499 | -5.06472587 |
| 3 | 5d | .586175 | 3.55546985 |
| 4 | 3d | 3.624723 | .00527981 |
| 5 | 4d | .900973 | .13136836 |
| 6 | 5d | .839944 | .04222964 |
| 7 | 4d | 7.277668 | -.00066014 |
| 8 | 5d | 27.975644 | -.00001380 |
| 9 | 5d | .459988 | -.02901108 |
| ORB.ENERGY,a.u. | -.179620 | ||
| NORM | 1.000002 | < R > | 11.512329 | < R2 > | 150.477165 | < 1/R > | .120599 | < 1/R**2 > | .029556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.116639 | .32273804 |
| 2 | 2s | 2.152454 | -.85078562 |
| 3 | 3s | 2.673555 | -.22142962 |
| 4 | 4s | 6.587166 | .01695559 |
| 5 | 3s | 6.796726 | .02528168 |
| 6 | 5s | 4.223695 | -.01421809 |
| 7 | 4s | 2.184236 | -.00990687 |
| 8 | 5s | 26.761938 | -.00011424 |
| 9 | 2s | 47.144253 | .00000650 |
| ORB.ENERGY,a.u. | -2.225300 | ||
| NORM | 1.000000 | < R > | 1.280705 | < R2 > | 1.914736 | < 1/R > | 1.116533 | < 1/R**2 > | 5.019405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.280684 | .88490341 |
| 2 | 1s | 8.630219 | .12356918 |
| 3 | 2s | 4.504136 | .02019504 |
| 4 | 3s | 6.680301 | -.02293460 |
| 5 | 4s | 11.080512 | .00567992 |
| 6 | 5s | 6.430852 | -.00642375 |
| 7 | 5s | 44.431308 | -.00001823 |
| 8 | 4s | 2.705940 | .00056107 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267342 | < R2 > | .096227 | < 1/R > | 5.679244 | < 1/R**2 > | 65.499049 |
Total Energy= -34.91937987 a.u.
Kinetic Energy= 34.90567713 a.u.
Potential Energy= -69.82505701 a.u.
Virial Ratio = -2.00039256