(1s 2 2s 2 2p 2 3d 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | .357795 | .91282171 |
| 2 | 3d | 2.097540 | .00592553 |
| 3 | 4d | 1.314496 | .00844103 |
| 4 | 5d | .375791 | .09941656 |
| 5 | 5d | 11.596065 | .00002119 |
| ORB.ENERGY,a.u. | -.056827 | ||
| NORM | 1.000000 | < R > | 10.166401 | < R2 > | 118.674250 | < 1/R > | .115714 | < 1/R**2 > | .016344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.740996 | .72258980 |
| 2 | 2p | 2.984486 | .29090280 |
| 3 | 2p | 7.045086 | .01514933 |
| 4 | 3p | 1.037927 | .02423807 |
| 5 | 5p | 5.485627 | -.00150912 |
| 6 | 2p | 5.193315 | .00523021 |
| 7 | 5p | 8.284277 | .00343628 |
| 8 | 5p | 1.191040 | -.00875505 |
| ORB.ENERGY,a.u. | -.892540 | ||
| NORM | 1.000000 | < R > | 1.244424 | < R2 > | 1.935258 | < 1/R > | 1.055531 | < 1/R**2 > | 1.579455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.892087 | .28666430 |
| 2 | 2s | 2.460788 | -.83198067 |
| 3 | 3s | 1.980062 | -.26764666 |
| 4 | 4s | 8.283937 | .02277043 |
| 5 | 3s | 10.164749 | .00723666 |
| 6 | 5s | 2.898279 | -.01607761 |
| 7 | 5s | 16.321971 | .00097741 |
| 8 | 3s | 1.003483 | -.00064166 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252905 | < R2 > | 1.874566 | < 1/R > | 1.140825 | < 1/R**2 > | 5.286911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229880 | .71795280 |
| 2 | 1s | 9.301758 | .22518485 |
| 3 | 1s | 2.646794 | .00480354 |
| 4 | 2s | 6.904683 | .08338801 |
| 5 | 3s | 7.780645 | -.02157201 |
| 6 | 4s | 12.681240 | .00690819 |
| 7 | 5s | 28.092995 | .00017153 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228084 | < R2 > | .070093 | < 1/R > | 6.656741 | < 1/R**2 > | 89.911269 |
Total Energy= -53.94473212 a.u.
Kinetic Energy= 53.94483590 a.u.
Potential Energy= -107.88956802 a.u.
Virial Ratio = -1.99999808