(1s 2 2s 2 5d 1 ) 2 D Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.975093 | 2.41497095 |
| 2 | 4d | 1.779971 | -8.19974062 |
| 3 | 5d | 1.823726 | 6.47671414 |
| 4 | 3d | 4.393891 | .06637507 |
| 5 | 5d | 6.962801 | -.01352670 |
| 6 | 4d | 26.393665 | .00024971 |
| 7 | 5d | 1.567200 | .05242927 |
| 8 | 5d | 35.109184 | -.00012346 |
| ORB.ENERGY,a.u. | -1.648600 | ||
| NORM | .999997 | < R > | 3.760218 | < R2 > | 16.048975 | < 1/R > | .369697 | < 1/R**2 > | .281094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.966361 | .38587212 |
| 2 | 2s | 5.237110 | -.78449617 |
| 3 | 3s | 6.597893 | -.29610742 |
| 4 | 5s | 12.532162 | -.01977111 |
| 5 | 4s | 25.463795 | .00322062 |
| 6 | 5s | 6.604247 | -.00451944 |
| 7 | 5s | 36.777411 | -.00056464 |
| ORB.ENERGY,a.u. | -14.116000 | ||
| NORM | 1.000000 | < R > | .524697 | < R2 > | .321680 | < 1/R > | 2.789812 | < 1/R**2 > | 31.370994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.273320 | .94144661 |
| 2 | 1s | 20.132865 | .05686370 |
| 3 | 2s | 13.036229 | .01991504 |
| 4 | 3s | 14.947649 | -.01625309 |
| 5 | 5s | 28.293667 | .00115218 |
| 6 | 4s | 63.494004 | -.00008905 |
| ORB.ENERGY,a.u. | -71.529000 |
| NORM | 1.000000 | < R > | .119021 | < R2 > | .018970 | < 1/R > | 12.671512 | < 1/R**2 > | 323.363318 |
Total Energy= -193.29477137 a.u.
Kinetic Energy= 193.29236306 a.u.
Potential Energy= -386.58713444 a.u.
Virial Ratio = -2.00001246