(1s 2 2s 1 3d 1 ) 1 D Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 3.329871 | .99754519 |
| 2 | 3d | 7.744237 | .01255078 |
| 3 | 4d | 7.477737 | -.00587815 |
| 4 | 5d | 22.800750 | -.00042638 |
| 5 | 4d | 39.177636 | -.00003771 |
| ORB.ENERGY,a.u. | -5.549400 | ||
| NORM | 1.000000 | < R > | 1.048120 | < R2 > | 1.257305 | < 1/R > | 1.116071 | < 1/R**2 > | 1.501864 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 2s | 5.460239 | -.79017170 |
| 2 | 3s | 6.613887 | -.29853417 |
| 3 | 5s | 11.653875 | -.03065875 |
| 4 | 4s | 24.340854 | .00492017 |
| 5 | 5s | 32.982510 | -.00111948 |
| 6 | 4s | 2.231971 | .00005496 |
| 7 | 3s | 57.068222 | .00003282 |
| 8 | 1s | 10.805943 | .40773086 |
| ORB.ENERGY,a.u. | -15.062000 | ||
| NORM | 1.000000 | < R > | .512294 | < R2 > | .306219 | < 1/R > | 2.872618 | < 1/R**2 > | 33.302621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434171 | .94053358 |
| 2 | 1s | 20.080195 | .04882895 |
| 3 | 2s | 15.137287 | .01478057 |
| 4 | 3s | 9.547357 | .00214798 |
| 5 | 4s | 51.410284 | -.00055319 |
| 6 | 5s | 68.392507 | .00020361 |
| 7 | 5s | 6.806709 | .00020153 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119002 | < R2 > | .018967 | < 1/R > | 12.674683 | < 1/R**2 > | 323.525692 |
Total Energy= -183.09544395 a.u.
Kinetic Energy= 182.73452821 a.u.
Potential Energy= -365.82997215 a.u.
Virial Ratio = -2.00197508