(1s 2 2s 2 2p 2 3d 1 ) 4 F N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | .351633 | .93033596 |
| 2 | 3d | 1.878321 | .01302431 |
| 3 | 4d | 1.196569 | .01137662 |
| 4 | 5d | 17.926814 | .00000764 |
| 5 | 5d | .370771 | .07564770 |
| 6 | 5d | 3.219599 | -.00096605 |
| ORB.ENERGY,a.u. | -.056458 | ||
| NORM | 1.000000 | < R > | 10.210191 | < R2 > | 119.808535 | < 1/R > | .115546 | < 1/R**2 > | .016437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.756037 | .71194261 |
| 2 | 2p | 2.966342 | .28489577 |
| 3 | 2p | 6.959972 | .01555750 |
| 4 | 3p | 1.377920 | .02920338 |
| 5 | 2p | 4.983605 | .00841237 |
| 6 | 5p | 8.287509 | .00403424 |
| 7 | 4p | .447674 | .00030900 |
| ORB.ENERGY,a.u. | -.892170 | ||
| NORM | 1.000000 | < R > | 1.244618 | < R2 > | 1.936309 | < 1/R > | 1.055487 | < 1/R**2 > | 1.579402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.873857 | .28798649 |
| 2 | 2s | 2.482216 | -.82940601 |
| 3 | 3s | 1.968618 | -.26848156 |
| 4 | 4s | 8.072836 | .02351763 |
| 5 | 3s | 9.749912 | .00906500 |
| 6 | 5s | 3.068459 | -.02369757 |
| 7 | 5s | 15.703948 | .00095315 |
| 8 | 2s | 47.802115 | .00000432 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252920 | < R2 > | 1.874617 | < 1/R > | 1.140816 | < 1/R**2 > | 5.286834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229974 | .71796484 |
| 2 | 1s | 9.302430 | .22514815 |
| 3 | 1s | 2.643918 | .00479069 |
| 4 | 2s | 6.904754 | .08344517 |
| 5 | 3s | 7.780817 | -.02157417 |
| 6 | 4s | 12.685011 | .00689591 |
| 7 | 5s | 28.104180 | .00017003 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228084 | < R2 > | .070093 | < 1/R > | 6.656741 | < 1/R**2 > | 89.911272 |
Total Energy= -53.94470083 a.u.
Kinetic Energy= 53.94446268 a.u.
Potential Energy= -107.88916351 a.u.
Virial Ratio = -2.00000441