(1s 2 4d 1 ) 2 D Al 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 2.884877 | 1.79675763 |
| 2 | 4d | 2.741102 | -2.30153742 |
| 3 | 3d | 15.704693 | .00034311 |
| 4 | 4d | 9.910706 | .00039019 |
| 5 | 5d | 2.475421 | .00246222 |
| ORB.ENERGY,a.u. | -3.784100 | ||
| NORM | .999999 | < R > | 1.908003 | < R2 > | 4.160976 | < 1/R > | .688198 | < 1/R**2 > | .758672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434660 | .93859364 |
| 2 | 1s | 20.355844 | .04921450 |
| 3 | 2s | 16.039813 | .01678270 |
| 4 | 3s | 12.543060 | .00163708 |
| 5 | 4s | 39.687490 | -.00112194 |
| 6 | 5s | 47.758920 | .00043089 |
| 7 | 3s | 67.688332 | -.00005500 |
| ORB.ENERGY,a.u. | -75.904000 |
| NORM | 1.000000 | < R > | .118824 | < R2 > | .018897 | < 1/R > | 12.687245 | < 1/R**2 > | 324.047524 |
Total Energy= -164.77346399 a.u.
Kinetic Energy= 164.76874796 a.u.
Potential Energy= -329.54221194 a.u.
Virial Ratio = -2.00002862