(1s 2 4s 1 ) 2 S Al 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 9.258423 | .17681469 |
| 2 | 2s | 3.326299 | -1.59654028 |
| 3 | 3s | 2.782821 | 5.08680398 |
| 4 | 4s | 2.777134 | -4.50854899 |
| 5 | 5s | 4.278364 | .28508545 |
| 6 | 4s | 7.740398 | -.09638287 |
| 7 | 5s | 23.883782 | .00188351 |
| 8 | 4s | 33.051725 | .00041067 |
| 9 | 5s | 2.230925 | .00433666 |
| ORB.ENERGY,a.u. | -3.911500 | ||
| NORM | 1.000000 | < R > | 2.113358 | < R2 > | 5.024244 | < 1/R > | .701764 | < 1/R**2 > | 3.952235 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.433901 | .93860229 |
| 2 | 1s | 20.356092 | .04921386 |
| 3 | 2s | 16.014761 | .01678595 |
| 4 | 3s | 12.587782 | .00166148 |
| 5 | 4s | 37.222121 | -.00112023 |
| 6 | 5s | 43.631352 | .00044078 |
| 7 | 3s | 58.002363 | -.00009100 |
| ORB.ENERGY,a.u. | -75.943000 |
| NORM | 1.000000 | < R > | .118834 | < R2 > | .018901 | < 1/R > | 12.686365 | < 1/R**2 > | 324.008663 |
Total Energy= -164.89166054 a.u.
Kinetic Energy= 164.89159555 a.u.
Potential Energy= -329.78325609 a.u.
Virial Ratio = -2.00000039