(1s 2 2s 2 2p 1 4d 1 ) 1 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 2.236924 | 1.44897900 |
| 2 | 4d | 1.975527 | -1.97542385 |
| 3 | 3d | 5.413409 | .01610542 |
| 4 | 5d | 1.877932 | .03405461 |
| 5 | 4d | 16.219400 | .00130586 |
| 6 | 5d | 11.946225 | .00419198 |
| 7 | 3d | 21.752894 | .00016668 |
| ORB.ENERGY,a.u. | -2.015400 | ||
| NORM | .999999 | < R > | 2.591748 | < R2 > | 7.699344 | < 1/R > | .512267 | < 1/R**2 > | .430440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.185916 | 1.07864147 |
| 2 | 3p | 6.340105 | -.09941479 |
| 3 | 2p | 12.690263 | .01767809 |
| 4 | 5p | 15.544186 | .00342722 |
| 5 | 4p | 28.933794 | -.00016096 |
| 6 | 5p | 5.397254 | .00749661 |
| 7 | 4p | 2.278929 | .00031530 |
| ORB.ENERGY,a.u. | -11.562000 | ||
| NORM | 1.000000 | < R > | .471875 | < R2 > | .270046 | < 1/R > | 2.684837 | < 1/R**2 > | 9.782864 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.334725 | .35661411 |
| 2 | 2s | 4.740464 | -.80135549 |
| 3 | 3s | 7.008670 | -.27857942 |
| 4 | 4s | 24.475434 | .00148092 |
| 5 | 5s | 13.707839 | -.01284540 |
| 6 | 5s | 5.239515 | .01738457 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539241 | < R2 > | .340585 | < 1/R > | 2.709482 | < 1/R**2 > | 29.723383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172760 | .92272851 |
| 2 | 1s | 18.727309 | .07848838 |
| 3 | 2s | 10.616215 | .01824805 |
| 4 | 3s | 13.392517 | -.01686329 |
| 5 | 4s | 65.113610 | -.00007016 |
| 6 | 5s | 30.043918 | .00087650 |
| 7 | 4s | 3.701719 | .00002289 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119328 | < R2 > | .019088 | < 1/R > | 12.650470 | < 1/R**2 > | 322.528539 |
Total Energy= -205.83039781 a.u.
Kinetic Energy= 205.78512220 a.u.
Potential Energy= -411.61552002 a.u.
Virial Ratio = -2.00022001