(1s 2 2s 2 2p 2 4s 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 10.606730 | .10289874 |
| 2 | 2s | 2.679613 | -1.26122807 |
| 3 | 3s | 2.464460 | 2.91465566 |
| 4 | 4s | 1.950347 | -2.08225362 |
| 5 | 5s | 3.530649 | -.22930154 |
| 6 | 4s | 10.364346 | -.01911174 |
| 7 | 5s | 26.730543 | .00019799 |
| 8 | 5s | 1.747949 | -.01106948 |
| ORB.ENERGY,a.u. | -1.880300 | ||
| NORM | 1.000001 | < R > | 2.810499 | < R2 > | 8.871679 | < 1/R > | .509854 | < 1/R**2 > | 2.094946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.820668 | 1.20108314 |
| 2 | 3p | 5.747530 | -.22221949 |
| 3 | 2p | 13.362557 | .01697880 |
| 4 | 4p | 16.065393 | .00726578 |
| 5 | 5p | 2.105429 | -.00022546 |
| 6 | 5p | 22.415315 | -.00208080 |
| 7 | 4p | 61.102812 | .00003623 |
| ORB.ENERGY,a.u. | -10.009000 | ||
| NORM | 1.000000 | < R > | .491112 | < R2 > | .293762 | < 1/R > | 2.593111 | < 1/R**2 > | 9.182132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.286345 | .40071524 |
| 2 | 2s | 5.518461 | -.86878876 |
| 3 | 3s | 5.163868 | -.29251233 |
| 4 | 4s | 21.800097 | .00237484 |
| 5 | 3s | 11.893382 | .02420334 |
| 6 | 5s | 3.905572 | -.00614044 |
| 7 | 4s | 1.834547 | .00592253 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554195 | < R2 > | .360761 | < 1/R > | 2.632357 | < 1/R**2 > | 28.176501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.156825 | .91830831 |
| 2 | 1s | 18.612871 | .08178778 |
| 3 | 2s | 10.356806 | .01959959 |
| 4 | 3s | 13.599311 | -.01613788 |
| 5 | 5s | 30.324469 | .00091915 |
| 6 | 4s | 66.807773 | -.00005941 |
| 7 | 5s | 4.883120 | .00032738 |
| 8 | 3s | 1.264882 | -.00032997 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019193 | < 1/R > | 12.632457 | < 1/R**2 > | 321.815312 |
Total Energy= -216.10011165 a.u.
Kinetic Energy= 216.10834655 a.u.
Potential Energy= -432.20845819 a.u.
Virial Ratio = -1.99996189