(1s 2 2s 2 2p 2 5d 1 ) 2 D Al 6+
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 | 1.681059 | 1.94221208 |
| 2 | 4d | 1.485808 | -5.08934835 |
| 3 | 5d | 1.388811 | 3.86355341 |
| 4 | 3d | 6.599026 | .01208047 |
| 5 | 5d | 3.301512 | -.01999245 |
| 6 | 4d | 16.306424 | -.00015045 |
| 7 | 4d | .894968 | -.00668410 |
| ORB.ENERGY,a.u. | -.986700 | ||
| NORM | 1.000005 | < R > | 4.880929 | < R2 > | 27.075209 | < 1/R > | .286522 | < 1/R**2 > | .170631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.832248 | 1.17730453 |
| 2 | 3p | 5.744739 | -.20186259 |
| 3 | 2p | 12.760736 | .02077597 |
| 4 | 4p | 14.994711 | .00801211 |
| 5 | 5p | 3.129785 | .00038499 |
| 6 | 5p | 21.594963 | -.00170653 |
| 7 | 4p | 58.706068 | .00003437 |
| ORB.ENERGY,a.u. | -10.131000 | ||
| NORM | 1.000000 | < R > | .490387 | < R2 > | .292853 | < 1/R > | 2.596489 | < 1/R**2 > | 9.204397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.527179 | .38738354 |
| 2 | 2s | 5.404136 | -.83563287 |
| 3 | 3s | 5.645553 | -.27281850 |
| 4 | 4s | 21.194955 | .00245993 |
| 5 | 3s | 12.801295 | .01534164 |
| 6 | 5s | 5.589522 | -.03643868 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553611 | < R2 > | .359871 | < 1/R > | 2.634798 | < 1/R**2 > | 28.222153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996162 |
| 2 | 1s | 18.805952 | .07951684 |
| 3 | 2s | 11.303293 | .01918585 |
| 4 | 3s | 14.397556 | -.01548836 |
| 5 | 5s | 30.680013 | .00111389 |
| 6 | 4s | 73.335365 | -.00004119 |
| 7 | 5s | 9.724404 | .00057175 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019192 | < 1/R > | 12.632496 | < 1/R**2 > | 321.818811 |
Total Energy= -215.23972168 a.u.
Kinetic Energy= 215.21714270 a.u.
Potential Energy= -430.45686438 a.u.
Virial Ratio = -2.00010491