(1s 2 2s 2 2p 5 3d 1 ) 3 F Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3d- electron | |
| 1 | 3d | 1.398939 | 1.13373027 |
| 2 | 3d | 3.991890 | .05739261 |
| 3 | 4d | 1.692897 | -.15582268 |
| 4 | 5d | 5.973809 | -.01009458 |
| 5 | 4d | 39.061436 | .00001936 |
| 6 | 4d | 15.574493 | .00027944 |
| ORB.ENERGY,a.u. | -.929890 | ||
| NORM | 1.000000 | < R > | 2.425478 | < R2 > | 6.822132 | < 1/R > | .492930 | < 1/R**2 > | .304309 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.769239 | 1.31549898 |
| 2 | 3p | 4.449300 | -.41541695 |
| 3 | 2p | 9.369258 | .09495914 |
| 4 | 4p | 11.016104 | .01960713 |
| 5 | 3p | 21.813161 | .00006602 |
| 6 | 5p | 2.595990 | .01482296 |
| 7 | 4p | 2.313559 | -.01633144 |
| 8 | 5p | 35.270817 | -.00008716 |
| ORB.ENERGY,a.u. | -5.034500 | ||
| NORM | 1.000000 | < R > | .566498 | < R2 > | .400007 | < 1/R > | 2.307225 | < 1/R**2 > | 7.475323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.639893 | .34935239 |
| 2 | 2s | 5.141100 | -.82806147 |
| 3 | 3s | 4.352040 | -.30237493 |
| 4 | 4s | 16.514924 | .00561264 |
| 5 | 3s | 15.568785 | .00648166 |
| 6 | 5s | 33.743611 | .00031210 |
| 7 | 5s | 3.293080 | -.00154654 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602513 | < R2 > | .431114 | < 1/R > | 2.415797 | < 1/R**2 > | 24.014483 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197489 | .91349857 |
| 2 | 1s | 18.070162 | .08416431 |
| 3 | 2s | 6.987048 | .01939011 |
| 4 | 3s | 8.839551 | -.02058461 |
| 5 | 4s | 11.211917 | .01067551 |
| 6 | 5s | 31.122515 | .00097060 |
| 7 | 4s | 73.041817 | -.00003854 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120142 | < R2 > | .019411 | < 1/R > | 12.596666 | < 1/R**2 > | 320.418243 |
Total Energy= -236.56824557 a.u.
Kinetic Energy= 236.57281266 a.u.
Potential Energy= -473.14105823 a.u.
Virial Ratio = -1.99998069