(1s 2 2s 2 2p 1 3s 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 11.702566 | .20773560 |
| 2 | 2s | 4.349085 | -1.20427346 |
| 3 | 3s | 3.697263 | 1.76058157 |
| 4 | 4s | 9.373514 | -.04969932 |
| 5 | 5s | 16.997825 | -.00829165 |
| 6 | 5s | 2.908660 | .00252909 |
| 7 | 4s | 75.606479 | -.00001474 |
| 8 | 4s | 1.979913 | -.00060375 |
| ORB.ENERGY,a.u. | -6.660000 | ||
| NORM | 1.000000 | < R > | 1.138600 | < R2 > | 1.469564 | < 1/R > | 1.267684 | < 1/R**2 > | 9.703185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.152424 | 1.08326626 |
| 2 | 3p | 7.521155 | -.10119451 |
| 3 | 2p | 14.308459 | .01576400 |
| 4 | 5p | 14.747739 | .00247403 |
| 5 | 4p | 28.819368 | -.00091024 |
| 6 | 5p | 5.891372 | .00649637 |
| 7 | 5p | 88.175542 | -.00001977 |
| ORB.ENERGY,a.u. | -16.600000 | ||
| NORM | 1.000000 | < R > | .398271 | < R2 > | .192188 | < 1/R > | 3.176152 | < 1/R**2 > | 13.659971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.242542 | .35945275 |
| 2 | 2s | 5.261658 | -.83123864 |
| 3 | 3s | 8.358227 | -.31303369 |
| 4 | 4s | 5.969018 | .09256123 |
| 5 | 5s | 17.049638 | -.01110787 |
| 6 | 5s | 3.907619 | -.00220650 |
| 7 | 3s | 26.946549 | -.00008726 |
| 8 | 5s | 40.489891 | .00028563 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458430 | < R2 > | .246343 | < 1/R > | 3.201273 | < 1/R**2 > | 41.492771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.166788 | .92741716 |
| 2 | 1s | 21.324790 | .07319556 |
| 3 | 2s | 12.412885 | .01356463 |
| 4 | 3s | 15.611819 | -.01177153 |
| 5 | 4s | 85.400170 | -.00003428 |
| 6 | 5s | 36.059278 | .00094174 |
| 7 | 5s | 4.930075 | .00024269 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102977 | < R2 > | .014206 | < 1/R > | 14.647310 | < 1/R**2 > | 431.959320 |
Total Energy= -282.72242722 a.u.
Kinetic Energy= 282.73994111 a.u.
Potential Energy= -565.46236833 a.u.
Virial Ratio = -1.99993806