(1s 1 4s 1 ) 1 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 2.563745 | .74376308 |
| 2 | 2s | 4.070168 | -2.57825741 |
| 3 | 3s | 2.994634 | 5.51490543 |
| 4 | 4s | 2.985316 | -4.79855437 |
| 5 | 5s | 8.578365 | .03619677 |
| 6 | 2s | 6.969847 | .23027858 |
| 7 | 4s | 24.618355 | .00076618 |
| 8 | 5s | 2.647288 | .03128652 |
| 9 | 2s | 14.263400 | .00191357 |
| ORB.ENERGY,a.u. | -4.760200 | ||
| NORM | 1.000000 | < R > | 1.969715 | < R2 > | 4.367803 | < 1/R > | .700029 | < 1/R**2 > | 1.984243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.013192 | 1.00295303 |
| 2 | 2s | 2.404566 | .11948411 |
| 3 | 3s | 6.516540 | -.08382056 |
| 4 | 4s | 8.397922 | .02031478 |
| 5 | 5s | 3.147695 | -.10526991 |
| 6 | 5s | 17.700599 | -.00022100 |
| ORB.ENERGY,a.u. | -83.979000 |
| NORM | 1.000000 | < R > | .118301 | < R2 > | .026762 | < 1/R > | 13.055248 | < 1/R**2 > | 340.574722 |
Total Energy= -89.07805120 a.u.
Kinetic Energy= 89.06254886 a.u.
Potential Energy= -178.14060006 a.u.
Virial Ratio = -2.00017406