(1s 2 2s 1 4s 1 ) 1 S Al 9+
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 | 8.871487 | .10705702 |
| 2 | 2s | 2.788733 | -1.55427182 |
| 3 | 3s | 2.690037 | 4.47959672 |
| 4 | 4s | 2.584580 | -3.70158474 |
| 5 | 5s | 4.139808 | .24149270 |
| 6 | 4s | 7.037140 | -.08405170 |
| 7 | 5s | 27.204033 | .00090425 |
| 8 | 4s | 38.428013 | .00015478 |
| ORB.ENERGY,a.u. | -3.344400 | ||
| NORM | .999998 | < R > | 2.244825 | < R2 > | 5.639225 | < 1/R > | .575449 | < 1/R**2 > | 1.499019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.495822 | .33788920 |
| 2 | 2s | 3.057513 | -.84567664 |
| 3 | 3s | 7.514657 | -.65194847 |
| 4 | 4s | 4.185443 | .58170638 |
| 5 | 5s | 2.447797 | -.16131211 |
| 6 | 5s | 16.973082 | -.00740289 |
| 7 | 4s | 26.265981 | -.00049460 |
| 8 | 4s | 1.657480 | .05135724 |
| 9 | 2s | 46.655278 | .00005427 |
| 10 | 5s | 1.427072 | -.01541857 |
| 11 | 3s | .876109 | .00468703 |
| ORB.ENERGY,a.u. | -15.672000 | ||
| NORM | 1.000000 | < R > | .515978 | < R2 > | .348892 | < 1/R > | 2.949817 | < 1/R**2 > | 35.191851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.433756 | .94090306 |
| 2 | 1s | 20.292833 | .04790661 |
| 3 | 2s | 15.620432 | .01507832 |
| 4 | 3s | 10.352270 | .00244808 |
| 5 | 4s | 49.945655 | -.00060909 |
| 6 | 5s | 65.819535 | .00022834 |
| 7 | 5s | 5.644655 | .00044663 |
| 8 | 4s | 2.106349 | -.00034568 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118997 | < R2 > | .018965 | < 1/R > | 12.674802 | < 1/R**2 > | 323.525842 |
Total Energy= -180.54271088 a.u.
Kinetic Energy= 180.52610996 a.u.
Potential Energy= -361.06882084 a.u.
Virial Ratio = -2.00009196