(1s 2 2s 2 2p 2 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 4.993789 | 1.10595202 |
| 2 | 3p | 6.561325 | -.13605701 |
| 3 | 2p | 11.205572 | .02499302 |
| 4 | 5p | 13.567429 | .00435386 |
| 5 | 4p | 26.086134 | -.00079954 |
| 6 | 5p | 5.061849 | .01953233 |
| 7 | 5p | 79.142172 | -.00001955 |
| 8 | 4p | 4.322731 | -.00506519 |
| ORB.ENERGY,a.u. | -10.254000 | ||
| NORM | 1.000000 | < R > | .493412 | < R2 > | .296857 | < 1/R > | 2.584768 | < 1/R**2 > | 9.138101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.256789 | .35067982 |
| 2 | 2s | 4.750641 | -.81241358 |
| 3 | 3s | 6.476823 | -.28348318 |
| 4 | 4s | 24.106819 | .00148645 |
| 5 | 5s | 13.804852 | -.00947138 |
| 6 | 5s | 8.347640 | .02728226 |
| 7 | 4s | 3.288189 | .00031348 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .553082 | < R2 > | .359134 | < 1/R > | 2.637395 | < 1/R**2 > | 28.274011 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.060192 | .94798000 |
| 2 | 1s | 20.007443 | .06469005 |
| 3 | 2s | 11.165301 | .01361422 |
| 4 | 3s | 18.640285 | -.01261639 |
| 5 | 4s | 15.947145 | -.01389669 |
| 6 | 5s | 31.906726 | .00081448 |
| 7 | 5s | 8.918380 | .00039119 |
| 8 | 3s | 49.782840 | -.00008165 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119588 | < R2 > | .019190 | < 1/R > | 12.632861 | < 1/R**2 > | 321.833044 |
Total Energy= -214.22966673 a.u.
Kinetic Energy= 214.01966067 a.u.
Potential Energy= -428.24932740 a.u.
Virial Ratio = -2.00098125