(1s 2 2s 2 2p 2 5d 1 ) 4 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | .242686 | 1.80983327 |
| 2 | 4d | .204112 | -5.53497182 |
| 3 | 5d | .197316 | 4.61748659 |
| 4 | 3d | 1.842344 | .00681325 |
| 5 | 4d | .156377 | -.14996700 |
| 6 | 5d | 1.452093 | .00401875 |
| 7 | 4d | 6.820284 | .00004767 |
| ORB.ENERGY,a.u. | -.020001 | ||
| NORM | 1.000012 | < R > | 34.432180 | < R2 > | 1346.657125 | < 1/R > | .040531 | < 1/R**2 > | .003427 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.750476 | .72847718 |
| 2 | 2p | 2.989280 | .27681111 |
| 3 | 2p | 6.926941 | .01686416 |
| 4 | 3p | .946613 | .03357851 |
| 5 | 2p | 4.243793 | .00880090 |
| 6 | 5p | 8.348182 | .00454060 |
| 7 | 5p | 8.347034 | -.00082926 |
| 8 | 5p | 1.162818 | -.01767608 |
| ORB.ENERGY,a.u. | -1.008600 | ||
| NORM | 1.000000 | < R > | 1.243744 | < R2 > | 1.932748 | < 1/R > | 1.055925 | < 1/R**2 > | 1.580418 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.898230 | .28621467 |
| 2 | 2s | 2.454303 | -.83268755 |
| 3 | 3s | 1.982545 | -.26755053 |
| 4 | 4s | 8.342874 | .02227064 |
| 5 | 3s | 10.206502 | .00701194 |
| 6 | 5s | 2.827847 | -.01394598 |
| 7 | 5s | 16.465398 | .00091771 |
| 8 | 3s | .958268 | -.00043645 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252846 | < R2 > | 1.874273 | < 1/R > | 1.140834 | < 1/R**2 > | 5.286884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229985 | .71796804 |
| 2 | 1s | 9.302372 | .22514462 |
| 3 | 1s | 2.644870 | .00479779 |
| 4 | 2s | 6.904484 | .08344177 |
| 5 | 3s | 7.780656 | -.02157746 |
| 6 | 4s | 12.684905 | .00689607 |
| 7 | 5s | 28.103514 | .00017008 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656724 | < 1/R**2 > | 89.910919 |
Total Energy= -53.90837682 a.u.
Kinetic Energy= 53.90800541 a.u.
Potential Energy= -107.81638222 a.u.
Virial Ratio = -2.00000689