(1s 2 2s 1 4d 1 ) 3 D Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.866032 | 1.36585907 |
| 2 | 4d | 2.483491 | -1.86481954 |
| 3 | 5d | 1.968545 | .00492870 |
| 4 | 3d | 6.481590 | .01703976 |
| 5 | 4d | 12.336963 | -.00136830 |
| ORB.ENERGY,a.u. | -3.171500 | ||
| NORM | .999999 | < R > | 2.065736 | < R2 > | 4.879119 | < 1/R > | .637625 | < 1/R**2 > | .657887 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.693104 | .41342262 |
| 2 | 2s | 5.550218 | -.79657226 |
| 3 | 3s | 6.486799 | -.30569510 |
| 4 | 5s | 11.312253 | -.02557667 |
| 5 | 4s | 22.243003 | .00845372 |
| 6 | 5s | 28.748074 | -.00223457 |
| 7 | 4s | 2.505004 | .00012834 |
| 8 | 3s | 48.190699 | .00009403 |
| ORB.ENERGY,a.u. | -15.627000 | ||
| NORM | 1.000000 | < R > | .512505 | < R2 > | .306331 | < 1/R > | 2.868895 | < 1/R**2 > | 33.191848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434501 | .94073973 |
| 2 | 1s | 20.111919 | .04862211 |
| 3 | 2s | 15.199217 | .01479011 |
| 4 | 3s | 9.760803 | .00206633 |
| 5 | 4s | 50.982159 | -.00056317 |
| 6 | 5s | 67.603968 | .00020769 |
| 7 | 5s | 6.770993 | .00016086 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118988 | < R2 > | .018961 | < 1/R > | 12.675499 | < 1/R**2 > | 323.556487 |
Total Energy= -180.44444060 a.u.
Kinetic Energy= 180.35729771 a.u.
Potential Energy= -360.80173832 a.u.
Virial Ratio = -2.00048317