(1s 2 2s 2 2p 5 5d 1 ) 1 F Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.039982 | 1.41417362 |
| 2 | 4d | .856889 | -4.42449813 |
| 3 | 5d | .806088 | 3.68488828 |
| 4 | 3d | 2.462895 | .06980906 |
| 5 | 5d | 3.754585 | -.01895009 |
| 6 | 4d | 7.605462 | .00510236 |
| 7 | 5d | 14.506312 | .00008904 |
| 8 | 3d | 10.601308 | .00089969 |
| ORB.ENERGY,a.u. | -.329080 | ||
| NORM | 1.000000 | < R > | 8.340491 | < R2 > | 79.171097 | < 1/R > | .169964 | < 1/R**2 > | .063217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.841146 | 1.29895593 |
| 2 | 3p | 4.576852 | -.38884694 |
| 3 | 2p | 9.536659 | .08659273 |
| 4 | 4p | 11.206103 | .01858949 |
| 5 | 5p | 78.253088 | .00000990 |
| 6 | 5p | 2.756109 | .01233290 |
| 7 | 4p | 2.425016 | -.01371634 |
| ORB.ENERGY,a.u. | -5.400100 | ||
| NORM | 1.000000 | < R > | .565378 | < R2 > | .397982 | < 1/R > | 2.309909 | < 1/R**2 > | 7.488577 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.645719 | .34925837 |
| 2 | 2s | 5.136989 | -.82787219 |
| 3 | 3s | 4.362206 | -.30184778 |
| 4 | 4s | 16.825452 | .00523446 |
| 5 | 3s | 15.403425 | .00651062 |
| 6 | 5s | 34.379294 | .00028476 |
| 7 | 5s | 3.612546 | -.00084504 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .601994 | < R2 > | .430180 | < 1/R > | 2.417313 | < 1/R**2 > | 24.039851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91349922 |
| 2 | 1s | 18.070162 | .08416541 |
| 3 | 2s | 6.985092 | .01939955 |
| 4 | 3s | 8.837100 | -.02058978 |
| 5 | 4s | 11.208283 | .01068229 |
| 6 | 5s | 31.054121 | .00096664 |
| 7 | 4s | 73.116371 | -.00004002 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120145 | < R2 > | .019412 | < 1/R > | 12.596490 | < 1/R**2 > | 320.411184 |
Total Energy= -235.97342306 a.u.
Kinetic Energy= 235.97195532 a.u.
Potential Energy= -471.94537838 a.u.
Virial Ratio = -2.00000622