(1s 2 2s 1 5d 1 ) 1 D Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 1.999038 | 3.53013705 |
| 2 | 4d | 2.002139 | -8.83171731 |
| 3 | 5d | 2.003561 | 5.98267606 |
| 4 | 3d | 8.606281 | .00576286 |
| 5 | 5d | 1.742962 | .00779917 |
| 6 | 5d | 23.319123 | -.00027533 |
| 7 | 4d | 5.026012 | .00471173 |
| 8 | 4d | 40.403558 | -.00002591 |
| ORB.ENERGY,a.u. | -2.004300 | ||
| NORM | 1.000003 | < R > | 3.439021 | < R2 > | 13.427646 | < 1/R > | .403572 | < 1/R**2 > | .330316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.744731 | .41121295 |
| 2 | 2s | 5.501393 | -.79521731 |
| 3 | 3s | 6.596934 | -.30230623 |
| 4 | 5s | 11.341206 | -.02623802 |
| 5 | 4s | 22.822923 | .00727854 |
| 6 | 5s | 30.277905 | -.00187622 |
| 7 | 4s | 79.762229 | .00002374 |
| ORB.ENERGY,a.u. | -15.822000 | ||
| NORM | 1.000000 | < R > | .511903 | < R2 > | .305640 | < 1/R > | 2.873558 | < 1/R**2 > | 33.305167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434467 | .94066236 |
| 2 | 1s | 20.102296 | .04868959 |
| 3 | 2s | 15.188170 | .01478348 |
| 4 | 3s | 9.779829 | .00208697 |
| 5 | 4s | 51.239781 | -.00055888 |
| 6 | 5s | 68.099649 | .00020597 |
| 7 | 5s | 6.941427 | .00018525 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118991 | < R2 > | .018963 | < 1/R > | 12.675301 | < 1/R**2 > | 323.548819 |
Total Energy= -179.25050257 a.u.
Kinetic Energy= 179.19034816 a.u.
Potential Energy= -358.44085073 a.u.
Virial Ratio = -2.00033570