(1s 2 2s 2 2p 2 3d 1 ) 4 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | .349816 | .94689624 |
| 2 | 4d | 1.124019 | .00648982 |
| 3 | 5d | 6.014938 | .00013486 |
| 4 | 3d | 1.872545 | .00459120 |
| 5 | 4d | 11.115489 | .00002365 |
| 6 | 5d | .367945 | .05938993 |
| ORB.ENERGY,a.u. | -.056655 | ||
| NORM | 1.000000 | < R > | 10.224997 | < R2 > | 119.897314 | < 1/R > | .114761 | < 1/R**2 > | .015983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.742312 | .72518045 |
| 2 | 2p | 2.994105 | .28723004 |
| 3 | 2p | 6.915974 | .01564951 |
| 4 | 3p | 1.072052 | .02190953 |
| 5 | 2p | 5.799767 | .00435908 |
| 6 | 5p | 8.372226 | .00444351 |
| 7 | 5p | 8.357360 | -.00052420 |
| 8 | 5p | 1.159046 | -.00676692 |
| ORB.ENERGY,a.u. | -.892370 | ||
| NORM | 1.000000 | < R > | 1.244125 | < R2 > | 1.933958 | < 1/R > | 1.055666 | < 1/R**2 > | 1.579759 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.874274 | .28795486 |
| 2 | 2s | 2.481988 | -.82923651 |
| 3 | 3s | 1.969582 | -.26881695 |
| 4 | 4s | 8.064928 | .02334305 |
| 5 | 3s | 9.698880 | .00920959 |
| 6 | 5s | 3.063681 | -.02342034 |
| 7 | 5s | 15.722929 | .00093493 |
| 8 | 2s | 47.757647 | .00000428 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252906 | < R2 > | 1.874545 | < 1/R > | 1.140816 | < 1/R**2 > | 5.286806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229995 | .71796728 |
| 2 | 1s | 9.302433 | .22514380 |
| 3 | 1s | 2.644236 | .00479346 |
| 4 | 2s | 6.904569 | .08344825 |
| 5 | 3s | 7.780547 | -.02157718 |
| 6 | 4s | 12.684984 | .00689501 |
| 7 | 5s | 28.101768 | .00017002 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228084 | < R2 > | .070094 | < 1/R > | 6.656737 | < 1/R**2 > | 89.911174 |
Total Energy= -53.94474268 a.u.
Kinetic Energy= 53.94466338 a.u.
Potential Energy= -107.88940606 a.u.
Virial Ratio = -2.00000147