(1s 2 2s 2 2p 2 4d 1 ) 2 F N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | .281651 | 1.47158308 |
| 2 | 4d | .247461 | -1.93981866 |
| 3 | 3d | 2.053462 | .00206547 |
| 4 | 5d | .621323 | -.01262603 |
| 5 | 4d | 5.974542 | .00007346 |
| ORB.ENERGY,a.u. | -.031387 | ||
| NORM | 1.000000 | < R > | 20.889454 | < R2 > | 499.010755 | < 1/R > | .063005 | < 1/R**2 > | .006408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.749776 | .72645047 |
| 2 | 2p | 2.997949 | .28254457 |
| 3 | 2p | 6.895315 | .01574739 |
| 4 | 3p | 1.118482 | .02473166 |
| 5 | 2p | 5.805979 | .00470688 |
| 6 | 5p | 8.168602 | .00434711 |
| 7 | 5p | 12.352727 | .00014948 |
| 8 | 5p | 1.218456 | -.00695649 |
| ORB.ENERGY,a.u. | -.971910 | ||
| NORM | 1.000000 | < R > | 1.243583 | < R2 > | 1.931989 | < 1/R > | 1.055982 | < 1/R**2 > | 1.580528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.899357 | .28612748 |
| 2 | 2s | 2.452861 | -.83289152 |
| 3 | 3s | 1.982601 | -.26755085 |
| 4 | 4s | 8.346995 | .02199637 |
| 5 | 3s | 10.132234 | .00713648 |
| 6 | 5s | 2.813805 | -.01341979 |
| 7 | 5s | 16.559542 | .00087315 |
| 8 | 3s | .913234 | -.00042584 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252874 | < R2 > | 1.874378 | < 1/R > | 1.140815 | < 1/R**2 > | 5.286722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230041 | .71793292 |
| 2 | 1s | 9.301743 | .22517304 |
| 3 | 1s | 2.651852 | .00483320 |
| 4 | 2s | 6.903526 | .08341925 |
| 5 | 3s | 7.776512 | -.02158543 |
| 6 | 4s | 12.680415 | .00689039 |
| 7 | 5s | 28.041781 | .00017137 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656723 | < 1/R**2 > | 89.910892 |
Total Energy= -53.91985975 a.u.
Kinetic Energy= 53.91939226 a.u.
Potential Energy= -107.83925201 a.u.
Virial Ratio = -2.00000867