(1s 2 2s 2 2p 1 ) 2 P Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 5.232767 | .97895125 |
| 2 | 2p | 9.828771 | .03074506 |
| 3 | 2p | 15.850022 | .00550603 |
| 4 | 3p | 4.770393 | .02794421 |
| 5 | 4p | 7.742216 | -.03261568 |
| 6 | 5p | 30.977143 | -.00022983 |
| 7 | 5p | 5.127417 | .00160015 |
| ORB.ENERGY,a.u. | -12.133000 | ||
| NORM | 1.000000 | < R > | .472010 | < R2 > | .270080 | < 1/R > | 2.683345 | < 1/R**2 > | 9.771018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.310972 | .35834352 |
| 2 | 2s | 4.776826 | -.79929752 |
| 3 | 3s | 6.885972 | -.28574650 |
| 4 | 4s | 4.814443 | .02161842 |
| 5 | 5s | 13.854756 | -.01379104 |
| 6 | 4s | 24.776746 | .00126317 |
| ORB.ENERGY,a.u. | -12.707000 | ||
| NORM | 1.000000 | < R > | .538352 | < R2 > | .339366 | < 1/R > | 2.714025 | < 1/R**2 > | 29.816408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.215274 | .93991877 |
| 2 | 1s | 19.731269 | .06185654 |
| 3 | 2s | 10.676312 | .02290288 |
| 4 | 3s | 17.010627 | -.01310579 |
| 5 | 5s | 32.303098 | .00107346 |
| 6 | 4s | 14.357524 | -.01045487 |
| 7 | 4s | 81.511916 | -.00002483 |
| ORB.ENERGY,a.u. | -69.626000 |
| NORM | 1.000000 | < R > | .119327 | < R2 > | .019088 | < 1/R > | 12.650529 | < 1/R**2 > | 322.530492 |
Total Energy= -203.76990057 a.u.
Kinetic Energy= 203.76990665 a.u.
Potential Energy= -407.53980722 a.u.
Virial Ratio = -1.99999997