(1s 2 2s 2 2p 2 5s 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 10.290350 | .07429123 |
| 2 | 2s | 3.650784 | -.45069088 |
| 3 | 3s | 1.970476 | 2.57113927 |
| 4 | 4s | 1.705842 | -5.11633681 |
| 5 | 5s | 1.517566 | 3.49656607 |
| 6 | 5s | 12.532777 | -.00569629 |
| 7 | 4s | 25.256676 | .00034320 |
| ORB.ENERGY,a.u. | -1.150800 | ||
| NORM | .999997 | < R > | 4.578512 | < R2 > | 23.455967 | < 1/R > | .315319 | < 1/R**2 > | .999468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.844973 | 1.18433023 |
| 2 | 3p | 5.811653 | -.20583246 |
| 3 | 2p | 13.065392 | .01822259 |
| 4 | 4p | 15.265979 | .00685799 |
| 5 | 5p | 3.967489 | .00021106 |
| 6 | 5p | 21.929841 | -.00153000 |
| 7 | 4p | 59.032158 | .00003248 |
| ORB.ENERGY,a.u. | -10.170000 | ||
| NORM | 1.000000 | < R > | .490672 | < R2 > | .293175 | < 1/R > | 2.594972 | < 1/R**2 > | 9.193977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.211790 | .40546947 |
| 2 | 2s | 5.565666 | -.87456260 |
| 3 | 3s | 5.137369 | -.29033844 |
| 4 | 4s | 21.921849 | .00235710 |
| 5 | 3s | 11.695719 | .02759604 |
| 6 | 5s | 7.376922 | -.00589426 |
| 7 | 4s | 1.763132 | .03092955 |
| 8 | 3s | 1.357711 | -.03179705 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553631 | < R2 > | .359963 | < 1/R > | 2.634794 | < 1/R**2 > | 28.222950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.157803 | .91997243 |
| 2 | 1s | 18.685944 | .08037883 |
| 3 | 2s | 10.471770 | .01925459 |
| 4 | 3s | 13.787834 | -.01618815 |
| 5 | 5s | 30.188528 | .00100490 |
| 6 | 4s | 68.915471 | -.00005416 |
| 7 | 5s | 6.033183 | .00024062 |
| 8 | 3s | .692715 | -.00161924 |
| 9 | 4s | .868536 | .00174492 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019193 | < 1/R > | 12.632472 | < 1/R**2 > | 321.816862 |
Total Energy= -215.37638367 a.u.
Kinetic Energy= 215.38007736 a.u.
Potential Energy= -430.75646103 a.u.
Virial Ratio = -1.99998285