(1s 2 2s 2 2p 2 4d 1 ) 4 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | .294321 | 1.36058548 |
| 2 | 4d | .248338 | -1.80399854 |
| 3 | 3d | 1.402705 | .00494755 |
| 4 | 5d | .562011 | -.03440476 |
| 5 | 4d | 3.780160 | .00071798 |
| 6 | 5d | 13.496298 | .00003638 |
| ORB.ENERGY,a.u. | -.031729 | ||
| NORM | .999992 | < R > | 20.624487 | < R2 > | 486.938663 | < 1/R > | .064131 | < 1/R**2 > | .006728 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.740171 | .72441615 |
| 2 | 2p | 2.975888 | .28962642 |
| 3 | 2p | 7.015564 | .01594265 |
| 4 | 3p | .876098 | .03009695 |
| 5 | 2p | 4.669256 | .00615872 |
| 6 | 5p | 8.388861 | .00317098 |
| 7 | 5p | 4.963305 | -.00191144 |
| 8 | 5p | 1.095048 | -.01787137 |
| ORB.ENERGY,a.u. | -.972250 | ||
| NORM | 1.000000 | < R > | 1.243808 | < R2 > | 1.932825 | < 1/R > | 1.055854 | < 1/R**2 > | 1.580219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.901185 | .28599822 |
| 2 | 2s | 2.451304 | -.83289447 |
| 3 | 3s | 1.982879 | -.26776848 |
| 4 | 4s | 8.395388 | .02221412 |
| 5 | 3s | 10.335023 | .00665672 |
| 6 | 5s | 2.799929 | -.01272932 |
| 7 | 5s | 16.564235 | .00090624 |
| 8 | 3s | .892636 | -.00041449 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252867 | < R2 > | 1.874370 | < 1/R > | 1.140827 | < 1/R**2 > | 5.286842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230015 | .71796392 |
| 2 | 1s | 9.302332 | .22514613 |
| 3 | 1s | 2.644630 | .00479629 |
| 4 | 2s | 6.904458 | .08344411 |
| 5 | 3s | 7.780679 | -.02157538 |
| 6 | 4s | 12.684934 | .00689629 |
| 7 | 5s | 28.104112 | .00017008 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228084 | < R2 > | .070094 | < 1/R > | 6.656728 | < 1/R**2 > | 89.911001 |
Total Energy= -53.91987460 a.u.
Kinetic Energy= 53.91973602 a.u.
Potential Energy= -107.83961062 a.u.
Virial Ratio = -2.00000257