(1s 2 2s 2 2p 1 ) 2 P S 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 6.724612 | .97096703 |
| 2 | 2p | 12.507244 | .02814492 |
| 3 | 2p | 19.754675 | .00468067 |
| 4 | 3p | 8.088543 | .02863176 |
| 5 | 4p | 10.107983 | -.02958809 |
| 6 | 5p | 37.910713 | -.00020539 |
| 7 | 5p | 7.075285 | .00791523 |
| ORB.ENERGY,a.u. | -20.728000 | ||
| NORM | 1.000000 | < R > | .367218 | < R2 > | .163101 | < 1/R > | 3.439016 | < 1/R**2 > | 15.986860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.599284 | .38635688 |
| 2 | 2s | 6.302356 | -.80758311 |
| 3 | 3s | 8.501949 | -.28531581 |
| 4 | 4s | 5.837613 | .00588632 |
| 5 | 5s | 16.958605 | -.01187666 |
| 6 | 4s | 30.561611 | .00116421 |
| ORB.ENERGY,a.u. | -34.294000 | ||
| NORM | 1.000000 | < R > | .423870 | < R2 > | .210145 | < 1/R > | 3.464789 | < 1/R**2 > | 48.529431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.086876 | .92622009 |
| 2 | 1s | 22.838357 | .07551556 |
| 3 | 2s | 12.499075 | .02101894 |
| 4 | 3s | 17.950510 | -.01609418 |
| 5 | 5s | 38.843069 | .00100916 |
| 6 | 4s | 15.592326 | -.00597539 |
| 7 | 4s | 101.716538 | -.00002335 |
| ORB.ENERGY,a.u. | -109.600000 |
| NORM | 1.000000 | < R > | .096360 | < R2 > | .012435 | < 1/R > | 15.647507 | < 1/R**2 > | 492.757786 |
Total Energy= -316.38419565 a.u.
Kinetic Energy= 316.38418746 a.u.
Potential Energy= -632.76838310 a.u.
Virial Ratio = -2.00000003