(1s 2 2s 2 2p 2 5d 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | .265373 | 1.38940855 |
| 2 | 4d | .208636 | -4.52400290 |
| 3 | 5d | .198328 | 3.98682396 |
| 4 | 3d | 1.178480 | .00833201 |
| 5 | 4d | .154946 | -.12307368 |
| 6 | 5d | .935846 | .00883730 |
| 7 | 4d | 3.022133 | .00130860 |
| 8 | 3d | 4.090583 | .00029362 |
| ORB.ENERGY,a.u. | -.020303 | ||
| NORM | 1.000038 | < R > | 33.914513 | < R2 > | 1306.173591 | < 1/R > | .041148 | < 1/R**2 > | .003535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.742114 | .72407342 |
| 2 | 2p | 2.988608 | .28948799 |
| 3 | 2p | 6.984549 | .01535435 |
| 4 | 3p | 1.061139 | .02232871 |
| 5 | 5p | 5.343250 | -.00103676 |
| 6 | 2p | 5.544785 | .00463726 |
| 7 | 5p | 8.311873 | .00366926 |
| 8 | 5p | 1.183547 | -.00728425 |
| ORB.ENERGY,a.u. | -1.008900 | ||
| NORM | 1.000000 | < R > | 1.243789 | < R2 > | 1.932822 | < 1/R > | 1.055877 | < 1/R**2 > | 1.580282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.897474 | .28627172 |
| 2 | 2s | 2.455116 | -.83260458 |
| 3 | 3s | 1.982203 | -.26756154 |
| 4 | 4s | 8.338474 | .02237897 |
| 5 | 3s | 10.224538 | .00698861 |
| 6 | 5s | 2.838311 | -.01421161 |
| 7 | 5s | 16.438278 | .00093355 |
| 8 | 3s | .971896 | -.00044324 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252840 | < R2 > | 1.874258 | < 1/R > | 1.140841 | < 1/R**2 > | 5.286950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230073 | .71794497 |
| 2 | 1s | 9.301923 | .22516655 |
| 3 | 1s | 2.644013 | .00479276 |
| 4 | 2s | 6.903668 | .08344838 |
| 5 | 3s | 7.779880 | -.02157689 |
| 6 | 4s | 12.685292 | .00689596 |
| 7 | 5s | 28.107758 | .00016995 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656727 | < 1/R**2 > | 89.910973 |
Total Energy= -53.90838172 a.u.
Kinetic Energy= 53.90831035 a.u.
Potential Energy= -107.81669207 a.u.
Virial Ratio = -2.00000132