(1s 2 2s 2 2p 1 4d 1 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 2.407989 | 1.17878156 |
| 2 | 4d | 2.016717 | -1.71433570 |
| 3 | 3d | 4.632545 | .05034627 |
| 4 | 5d | 39.553697 | .00002152 |
| 5 | 4d | 9.382914 | .00677929 |
| 6 | 5d | 21.238572 | .00030256 |
| 7 | 3d | 18.553198 | .00031092 |
| 8 | 5d | 1.682271 | .00572444 |
| ORB.ENERGY,a.u. | -2.082300 | ||
| NORM | 1.000000 | < R > | 2.506065 | < R2 > | 7.194353 | < 1/R > | .530492 | < 1/R**2 > | .466552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.136957 | 1.09727011 |
| 2 | 3p | 6.279950 | -.11764395 |
| 3 | 2p | 12.436456 | .01872925 |
| 4 | 5p | 15.135824 | .00362743 |
| 5 | 4p | 28.037840 | -.00028336 |
| 6 | 5p | 3.042328 | -.00117580 |
| 7 | 4p | 4.301532 | .00448449 |
| 8 | 5p | 91.291242 | -.00000351 |
| ORB.ENERGY,a.u. | -11.628000 | ||
| NORM | 1.000000 | < R > | .473424 | < R2 > | .271809 | < 1/R > | 2.676703 | < 1/R**2 > | 9.728272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339164 | .35637300 |
| 2 | 2s | 4.735419 | -.80153043 |
| 3 | 3s | 7.008121 | -.27836728 |
| 4 | 4s | 24.633623 | .00138544 |
| 5 | 5s | 13.742401 | -.01323747 |
| 6 | 5s | 5.251341 | .01815891 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539273 | < R2 > | .340624 | < 1/R > | 2.709268 | < 1/R**2 > | 29.718352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172922 | .92269660 |
| 2 | 1s | 18.724114 | .07852147 |
| 3 | 2s | 10.607915 | .01824820 |
| 4 | 3s | 13.383209 | -.01686852 |
| 5 | 4s | 65.118398 | -.00006999 |
| 6 | 5s | 30.058436 | .00087651 |
| 7 | 4s | 3.720167 | .00002302 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119326 | < R2 > | .019087 | < 1/R > | 12.650613 | < 1/R**2 > | 322.534391 |
Total Energy= -205.83172213 a.u.
Kinetic Energy= 205.85201144 a.u.
Potential Energy= -411.68373356 a.u.
Virial Ratio = -1.99990144