(1s 2 2s 2 2p 1 4d 1 ) 1 F Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 4d- electron | |
| 1 | 3d | 2.209527 | 1.51792755 |
| 2 | 4d | 1.988265 | -2.01304117 |
| 3 | 3d | 5.911142 | .02060755 |
| 4 | 5d | 8.062186 | -.00478362 |
| 5 | 4d | 32.420952 | .00004005 |
| 6 | 5d | 1.558797 | .00223728 |
| ORB.ENERGY,a.u. | -2.013400 | ||
| NORM | 1.000001 | < R > | 2.596061 | < R2 > | 7.724063 | < 1/R > | .510785 | < 1/R**2 > | .426284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.183825 | 1.08638180 |
| 2 | 3p | 6.475424 | -.10650040 |
| 3 | 2p | 12.049736 | .01928565 |
| 4 | 5p | 13.530227 | .00382472 |
| 5 | 4p | 25.840505 | -.00080468 |
| 6 | 5p | 4.957671 | .00303029 |
| 7 | 5p | 79.411921 | -.00001750 |
| 8 | 3p | 2.000062 | .00187618 |
| ORB.ENERGY,a.u. | -11.560000 | ||
| NORM | 1.000000 | < R > | .471665 | < R2 > | .269815 | < 1/R > | 2.685822 | < 1/R**2 > | 9.788938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.336022 | .35655774 |
| 2 | 2s | 4.739370 | -.80133771 |
| 3 | 3s | 7.005351 | -.27851058 |
| 4 | 4s | 24.555221 | .00142606 |
| 5 | 5s | 13.724904 | -.01310440 |
| 6 | 5s | 5.253137 | .01768309 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539236 | < R2 > | .340579 | < 1/R > | 2.709511 | < 1/R**2 > | 29.724041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172769 | .92273761 |
| 2 | 1s | 18.727921 | .07847864 |
| 3 | 2s | 10.617668 | .01824768 |
| 4 | 3s | 13.394262 | -.01686223 |
| 5 | 4s | 65.125818 | -.00007014 |
| 6 | 5s | 30.041337 | .00087703 |
| 7 | 4s | 3.698601 | .00002286 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119328 | < R2 > | .019088 | < 1/R > | 12.650456 | < 1/R**2 > | 322.527964 |
Total Energy= -205.82982617 a.u.
Kinetic Energy= 205.78309953 a.u.
Potential Energy= -411.61292569 a.u.
Virial Ratio = -2.00022707