(1s 2 2s 2 2p 2 5d 1 ) 4 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 2.282372 | 1.55694066 |
| 2 | 4d | 1.960164 | -4.29958931 |
| 3 | 5d | 1.797343 | 3.40927089 |
| 4 | 3d | 5.318345 | .04985665 |
| 5 | 5d | 8.189484 | -.01007136 |
| 6 | 4d | 28.807833 | .00026489 |
| 7 | 5d | 1.272133 | -.00631043 |
| 8 | 5d | 38.812948 | -.00012783 |
| ORB.ENERGY,a.u. | -1.659000 | ||
| NORM | 1.000004 | < R > | 3.732751 | < R2 > | 15.827312 | < 1/R > | .374321 | < 1/R**2 > | .292376 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.817676 | 1.13466679 |
| 2 | 3p | 6.830850 | -.16031624 |
| 3 | 2p | 14.340497 | .02229815 |
| 4 | 4p | 16.792006 | .00772066 |
| 5 | 5p | 24.648471 | -.00130664 |
| 6 | 5p | 3.949377 | .00030449 |
| 7 | 4p | 66.322332 | .00003114 |
| ORB.ENERGY,a.u. | -15.215000 | ||
| NORM | 1.000000 | < R > | .409512 | < R2 > | .203720 | < 1/R > | 3.099804 | < 1/R**2 > | 13.068194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922915 | .41183391 |
| 2 | 2s | 6.451428 | -.85491390 |
| 3 | 3s | 6.629205 | -.28056368 |
| 4 | 4s | 25.192265 | .00223115 |
| 5 | 3s | 14.040288 | .01710909 |
| 6 | 5s | 6.655867 | -.02697151 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467115 | < R2 > | .255840 | < 1/R > | 3.134459 | < 1/R**2 > | 39.890919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170686 |
| 2 | 1s | 21.588900 | .07719328 |
| 3 | 2s | 13.467228 | .01932260 |
| 4 | 3s | 16.732815 | -.01553577 |
| 5 | 5s | 35.639121 | .00099104 |
| 6 | 4s | 86.755333 | -.00003372 |
| 7 | 5s | 11.532115 | .00052447 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628546 | < 1/R**2 > | 431.106651 |
Total Energy= -293.35995818 a.u.
Kinetic Energy= 293.35408272 a.u.
Potential Energy= -586.71404090 a.u.
Virial Ratio = -2.00002003