(1s 2 2s 2 2p 2 4d 1 ) 4 F N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | .292207 | 1.38687796 |
| 2 | 4d | .248789 | -1.82847964 |
| 3 | 3d | 1.231972 | .01259763 |
| 4 | 5d | .536335 | -.03942502 |
| 5 | 4d | 2.917117 | .00341848 |
| 6 | 5d | 7.163454 | .00038714 |
| 7 | 4d | 12.500383 | .00006242 |
| ORB.ENERGY,a.u. | -.031725 | ||
| NORM | 1.000003 | < R > | 20.568105 | < R2 > | 485.214626 | < 1/R > | .064881 | < 1/R**2 > | .007066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.748600 | .70890511 |
| 2 | 2p | 2.949502 | .29043622 |
| 3 | 2p | 6.671409 | .01727701 |
| 4 | 3p | 1.376780 | .02602162 |
| 5 | 5p | 12.006801 | .00033117 |
| 6 | 2p | 6.099675 | .00535609 |
| 7 | 5p | 7.946651 | .00557070 |
| ORB.ENERGY,a.u. | -.972250 | ||
| NORM | 1.000000 | < R > | 1.244132 | < R2 > | 1.934275 | < 1/R > | 1.055720 | < 1/R**2 > | 1.579931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.895343 | .28642556 |
| 2 | 2s | 2.457471 | -.83219721 |
| 3 | 3s | 1.981989 | -.26788829 |
| 4 | 4s | 8.299255 | .02231756 |
| 5 | 3s | 10.097041 | .00732331 |
| 6 | 5s | 2.857101 | -.01479853 |
| 7 | 5s | 16.405936 | .00092457 |
| 8 | 3s | 1.002075 | -.00054978 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252872 | < R2 > | 1.874404 | < 1/R > | 1.140830 | < 1/R**2 > | 5.286893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229985 | .71795661 |
| 2 | 1s | 9.302444 | .22514942 |
| 3 | 1s | 2.644568 | .00479539 |
| 4 | 2s | 6.904698 | .08345070 |
| 5 | 3s | 7.780697 | -.02157547 |
| 6 | 4s | 12.685081 | .00689487 |
| 7 | 5s | 28.102522 | .00016999 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228084 | < R2 > | .070094 | < 1/R > | 6.656733 | < 1/R**2 > | 89.911090 |
Total Energy= -53.91984807 a.u.
Kinetic Energy= 53.91973009 a.u.
Potential Energy= -107.83957817 a.u.
Virial Ratio = -2.00000219