(1s 2 2s 2 2p 2 4d 1 ) 4 F Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 2.217672 | 1.03976515 |
| 2 | 4d | 1.752934 | -1.57718141 |
| 3 | 3d | 4.729223 | .08219119 |
| 4 | 4d | 5.771714 | -.02199317 |
| 5 | 5d | 1.381894 | .03558643 |
| 6 | 5d | 17.901177 | -.00045157 |
| 7 | 4d | 28.144802 | -.00004586 |
| 8 | 4d | 1.142457 | -.02067681 |
| ORB.ENERGY,a.u. | -1.608000 | ||
| NORM | 1.000001 | < R > | 2.829814 | < R2 > | 9.187316 | < 1/R > | .473167 | < 1/R**2 > | .377594 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.832293 | 1.19922153 |
| 2 | 3p | 5.818883 | -.21929633 |
| 3 | 2p | 13.200185 | .01698221 |
| 4 | 4p | 15.610432 | .00590567 |
| 5 | 5p | 22.770142 | -.00137136 |
| 6 | 5p | 2.091414 | -.00050753 |
| 7 | 4p | 62.376351 | .00002492 |
| ORB.ENERGY,a.u. | -9.991300 | ||
| NORM | 1.000000 | < R > | .491599 | < R2 > | .294379 | < 1/R > | 2.591167 | < 1/R**2 > | 9.171213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.518172 | .38756639 |
| 2 | 2s | 5.410807 | -.83540632 |
| 3 | 3s | 5.629398 | -.27295782 |
| 4 | 4s | 21.022210 | .00250084 |
| 5 | 3s | 12.834564 | .01537430 |
| 6 | 5s | 5.593499 | -.03750728 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554067 | < R2 > | .360525 | < 1/R > | 2.632670 | < 1/R**2 > | 28.179627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159672 | .91996340 |
| 2 | 1s | 18.806186 | .07951311 |
| 3 | 2s | 11.309022 | .01918147 |
| 4 | 3s | 14.397543 | -.01548791 |
| 5 | 5s | 30.694887 | .00111322 |
| 6 | 4s | 73.274172 | -.00004108 |
| 7 | 5s | 9.706865 | .00057748 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119592 | < R2 > | .019191 | < 1/R > | 12.632672 | < 1/R**2 > | 321.826083 |
Total Energy= -215.81844177 a.u.
Kinetic Energy= 215.83851288 a.u.
Potential Energy= -431.65695464 a.u.
Virial Ratio = -1.99990701