(1s 2 2s 1 3d 1 ) 1 D F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 2.000593 | .98976329 |
| 2 | 4d | 5.204030 | -.01252420 |
| 3 | 3d | 4.764856 | .01494808 |
| 4 | 5d | 2.276802 | .00950693 |
| 5 | 5d | 7.671131 | .00391616 |
| ORB.ENERGY,a.u. | -1.993500 | ||
| NORM | 1.000000 | < R > | 1.751206 | < R2 > | 3.509818 | < 1/R > | .668221 | < 1/R**2 > | .539049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.359736 | .39037054 |
| 2 | 2s | 3.660080 | -.86442462 |
| 3 | 3s | 4.235673 | -.24584555 |
| 4 | 4s | 10.530801 | .03003509 |
| 5 | 3s | 11.659973 | .00921024 |
| 6 | 5s | 7.435500 | -.01654114 |
| 7 | 5s | 12.853947 | -.00852700 |
| 8 | 4s | 3.365820 | -.00830398 |
| 9 | 3s | 1.793726 | .00074107 |
| ORB.ENERGY,a.u. | -6.070200 | ||
| NORM | 1.000000 | < R > | .778512 | < R2 > | .707191 | < 1/R > | 1.871421 | < 1/R**2 > | 14.151048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.184047 | .86216568 |
| 2 | 1s | 12.068903 | .13810316 |
| 3 | 2s | 5.621899 | .02912932 |
| 4 | 3s | 7.123033 | -.03373776 |
| 5 | 4s | 16.451906 | .00404272 |
| 6 | 5s | 9.477798 | .00504797 |
| 7 | 5s | 61.664264 | -.00002033 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174272 | < R2 > | .040759 | < 1/R > | 8.676499 | < 1/R**2 > | 152.084827 |
Total Energy= -84.45624816 a.u.
Kinetic Energy= 84.27280738 a.u.
Potential Energy= -168.72905555 a.u.
Virial Ratio = -2.00217675