(1s 2 2s 2 2p 6 5d 1 ) 2 D P 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.307277 | 1.40958204 |
| 2 | 4d | 1.104663 | -3.96208325 |
| 3 | 5d | 1.003130 | 3.20346569 |
| 4 | 3d | 3.522022 | .11890256 |
| 5 | 4d | 4.488962 | -.06227349 |
| 6 | 5d | 8.729450 | -.00176948 |
| 7 | 3d | 17.552915 | .00004147 |
| 8 | 4d | .401833 | -.00089520 |
| ORB.ENERGY,a.u. | -.516300 | ||
| NORM | 1.000004 | < R > | 6.640185 | < R2 > | 50.199021 | < 1/R > | .214090 | < 1/R**2 > | .101132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.147391 | .45633958 |
| 2 | 3p | 6.301719 | .49454819 |
| 3 | 4p | 5.067596 | .15754936 |
| 4 | 5p | 3.098659 | .01165152 |
| 5 | 2p | 17.876448 | .00423190 |
| 6 | 5p | 35.689786 | -.00014592 |
| 7 | 3p | 1.869250 | -.01942228 |
| 8 | 3p | 78.202471 | .00000250 |
| 9 | 5p | 2.152020 | .00681548 |
| ORB.ENERGY,a.u. | -7.355500 | ||
| NORM | 1.000000 | < R > | .478649 | < R2 > | .285018 | < 1/R > | 2.725405 | < 1/R**2 > | 10.407521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.229796 | .35926874 |
| 2 | 2s | 5.977486 | -.84461908 |
| 3 | 3s | 5.094312 | -.28825869 |
| 4 | 4s | 20.111770 | .00437703 |
| 5 | 3s | 18.499503 | .00436142 |
| 6 | 4s | 1.985290 | -.00393604 |
| 7 | 5s | 40.854529 | .00019841 |
| 8 | 5s | 2.221535 | .00327043 |
| 9 | 3s | 3.115178 | .00161638 |
| ORB.ENERGY,a.u. | -9.481100 | ||
| NORM | 1.000000 | < R > | .513584 | < R2 > | .312901 | < 1/R > | 2.841402 | < 1/R**2 > | 33.256716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 2s | 2.581735 | -.00010473 |
| 2 | 2s | 3.107150 | .00022340 |
| 3 | 3s | 117.171711 | -.00001087 |
| 4 | 1s | 14.569697 | 1.01444180 |
| 5 | 2s | 20.413918 | -.02231040 |
| 6 | 3s | 10.636714 | .01916793 |
| 7 | 4s | 57.879460 | -.00050968 |
| 8 | 4s | 10.094574 | .00282470 |
| 9 | 5s | 73.276044 | .00018262 |
| 10 | 5s | 12.501008 | -.00811453 |
| ORB.ENERGY,a.u. | -81.507000 |
| NORM | 1.000000 | < R > | .103785 | < R2 > | .014482 | < 1/R > | 14.575468 | < 1/R**2 > | 428.697627 |
Total Energy= -334.88734971 a.u.
Kinetic Energy= 334.88600926 a.u.
Potential Energy= -669.77335897 a.u.
Virial Ratio = -2.00000400