(1s 2 2s 2 5s 1 ) 2 S Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 10.046550 | .09321653 |
| 2 | 2s | 2.261636 | -1.97963808 |
| 3 | 3s | 2.127002 | 7.76836746 |
| 4 | 4s | 2.139946 | -9.06900188 |
| 5 | 5s | 1.841204 | 3.70898883 |
| 6 | 5s | 14.942467 | -.00506796 |
| 7 | 4s | 7.656567 | -.04054347 |
| 8 | 5s | 1.053146 | -.00780656 |
| 9 | 4s | 27.427165 | -.00002781 |
| 10 | 4s | .696104 | .00231152 |
| ORB.ENERGY,a.u. | -1.769200 | ||
| NORM | .999998 | < R > | 3.825927 | < R2 > | 16.380796 | < 1/R > | .381097 | < 1/R**2 > | 1.434175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.965369 | .38616148 |
| 2 | 2s | 5.239323 | -.78440651 |
| 3 | 3s | 6.614228 | -.29606730 |
| 4 | 5s | 12.447742 | -.01960115 |
| 5 | 4s | 25.329598 | .00341514 |
| 6 | 5s | 6.591025 | -.00483119 |
| 7 | 5s | 36.420321 | -.00061542 |
| 8 | 4s | 2.189888 | .00252740 |
| 9 | 3s | 1.760966 | -.00264640 |
| ORB.ENERGY,a.u. | -14.140000 | ||
| NORM | 1.000000 | < R > | .524458 | < R2 > | .321383 | < 1/R > | 2.791375 | < 1/R**2 > | 31.406539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.272983 | .94157544 |
| 2 | 1s | 20.159562 | .05669365 |
| 3 | 2s | 13.095471 | .01992338 |
| 4 | 3s | 14.992705 | -.01619928 |
| 5 | 5s | 28.341203 | .00114660 |
| 6 | 4s | 63.491037 | -.00008906 |
| ORB.ENERGY,a.u. | -71.544000 |
| NORM | 1.000000 | < R > | .119025 | < R2 > | .018971 | < 1/R > | 12.671171 | < 1/R**2 > | 323.348357 |
Total Energy= -193.41120305 a.u.
Kinetic Energy= 193.41120505 a.u.
Potential Energy= -386.82240809 a.u.
Virial Ratio = -1.99999999