(1s 2 5s 1 ) 2 S Al 10+
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 | 5.200187 | .22696638 |
| 2 | 2s | 2.256078 | -4.46567450 |
| 3 | 3s | 2.303610 | 14.25919519 |
| 4 | 4s | 2.373223 | -15.43739025 |
| 5 | 5s | 2.206305 | 5.90607221 |
| 6 | 5s | 12.567721 | -.00328272 |
| 7 | 1s | 14.512274 | .01547867 |
| 8 | 4s | 53.773403 | -.00002762 |
| 9 | 5s | 1.166467 | -.00065212 |
| ORB.ENERGY,a.u. | -2.486100 | ||
| NORM | 1.000000 | < R > | 3.323374 | < R2 > | 12.369871 | < 1/R > | .447245 | < 1/R**2 > | 2.004823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434356 | .93859833 |
| 2 | 1s | 20.355348 | .04921594 |
| 3 | 2s | 16.026893 | .01678114 |
| 4 | 3s | 12.660547 | .00163980 |
| 5 | 4s | 38.497640 | -.00112648 |
| 6 | 5s | 45.770888 | .00043666 |
| 7 | 3s | 62.782406 | -.00006968 |
| ORB.ENERGY,a.u. | -76.183000 |
| NORM | 1.000000 | < R > | .118827 | < R2 > | .018898 | < 1/R > | 12.686923 | < 1/R**2 > | 324.032484 |
Total Energy= -163.46905860 a.u.
Kinetic Energy= 163.46900324 a.u.
Potential Energy= -326.93806183 a.u.
Virial Ratio = -2.00000034