(1s 2 2s 2 2p 2 3p 1 ) 2 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 3.674354 | .61575190 |
| 2 | 3p | 2.552932 | -1.32936409 |
| 3 | 2p | 9.889583 | .03124435 |
| 4 | 4p | 6.548747 | -.04258607 |
| 5 | 5p | 15.816831 | .00246332 |
| 6 | 5p | 3.956899 | .02741690 |
| 7 | 4p | 18.449369 | .00027119 |
| ORB.ENERGY,a.u. | -3.201000 | ||
| NORM | 1.000000 | < R > | 1.547487 | < R2 > | 2.693850 | < 1/R > | .818478 | < 1/R**2 > | 1.277321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.988030 | 1.32404792 |
| 2 | 3p | 6.656262 | -.39585442 |
| 3 | 2p | 1.822781 | -.04282262 |
| 4 | 4p | 8.462225 | .09302111 |
| 5 | 5p | 16.398017 | .00435255 |
| 6 | 5p | 2.063200 | .02086520 |
| 7 | 3p | 1.621652 | -.02790516 |
| 8 | 3p | 21.463281 | -.00009164 |
| ORB.ENERGY,a.u. | -9.534800 | ||
| NORM | 1.000000 | < R > | .480231 | < R2 > | .278400 | < 1/R > | 2.630274 | < 1/R**2 > | 9.390063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.540023 | .38523959 |
| 2 | 2s | 5.382884 | -.83626092 |
| 3 | 3s | 5.593639 | -.27314436 |
| 4 | 4s | 21.165399 | .00247047 |
| 5 | 3s | 12.795341 | .01496134 |
| 6 | 5s | 5.387598 | -.03429292 |
| 7 | 5s | 3.120921 | -.00035111 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555730 | < R2 > | .362914 | < 1/R > | 2.624922 | < 1/R**2 > | 28.029138 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.156802 | .92060728 |
| 2 | 1s | 18.857420 | .07890027 |
| 3 | 2s | 11.362419 | .01918159 |
| 4 | 3s | 14.455170 | -.01544944 |
| 5 | 5s | 30.541925 | .00102895 |
| 6 | 4s | 69.888489 | -.00004872 |
| 7 | 5s | 10.570999 | .00068365 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119636 | < R2 > | .019208 | < 1/R > | 12.629526 | < 1/R**2 > | 321.700092 |
Total Energy= -217.47008996 a.u.
Kinetic Energy= 217.42985648 a.u.
Potential Energy= -434.89994644 a.u.
Virial Ratio = -2.00018504