(1s 2 2s 2 2p 2 4d 1 ) 2 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .222360 | 3.06687767 |
| 2 | 4d | .242886 | -3.64602282 |
| 3 | 3d | 1.679591 | .00362136 |
| 4 | 5d | 1.024369 | -.00691986 |
| 5 | 4d | 1.800865 | -.00447314 |
| ORB.ENERGY,a.u. | -.030882 | ||
| NORM | .999987 | < R > | 21.277134 | < R2 > | 516.976967 | < 1/R > | .061493 | < 1/R**2 > | .006009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.748766 | .72678092 |
| 2 | 2p | 2.998789 | .28311300 |
| 3 | 2p | 6.975054 | .01548519 |
| 4 | 3p | 1.088578 | .02491149 |
| 5 | 2p | 5.310896 | .00538976 |
| 6 | 5p | 8.295319 | .00434230 |
| 7 | 5p | 7.835912 | -.00059812 |
| 8 | 5p | 1.217179 | -.00812470 |
| ORB.ENERGY,a.u. | -.971400 | ||
| NORM | 1.000000 | < R > | 1.243312 | < R2 > | 1.930992 | < 1/R > | 1.056140 | < 1/R**2 > | 1.580913 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.900796 | .28601780 |
| 2 | 2s | 2.451355 | -.83305776 |
| 3 | 3s | 1.982854 | -.26744821 |
| 4 | 4s | 8.373552 | .02201696 |
| 5 | 3s | 10.210191 | .00692859 |
| 6 | 5s | 2.799049 | -.01299378 |
| 7 | 5s | 16.592540 | .00087362 |
| 8 | 3s | .888885 | -.00039302 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252885 | < R2 > | 1.874397 | < 1/R > | 1.140798 | < 1/R**2 > | 5.286557 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230044 | .71792645 |
| 2 | 1s | 9.301696 | .22517700 |
| 3 | 1s | 2.652161 | .00483564 |
| 4 | 2s | 6.903411 | .08342108 |
| 5 | 3s | 7.776346 | -.02158576 |
| 6 | 4s | 12.680585 | .00688948 |
| 7 | 5s | 28.041690 | .00017130 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656717 | < 1/R**2 > | 89.910762 |
Total Energy= -53.91980001 a.u.
Kinetic Energy= 53.91888988 a.u.
Potential Energy= -107.83868989 a.u.
Virial Ratio = -2.00001688