(1s 2 2s 2 2p 5 4d 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.086457 | 1.61536419 |
| 2 | 4d | .997509 | -2.11005890 |
| 3 | 3d | 5.762915 | .00557578 |
| 4 | 4d | 2.966964 | .00353141 |
| 5 | 5d | 12.609096 | -.00014509 |
| ORB.ENERGY,a.u. | -.503000 | ||
| NORM | 1.000000 | < R > | 5.211526 | < R2 > | 31.072384 | < 1/R > | .253080 | < 1/R**2 > | .103970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.848667 | 1.29766150 |
| 2 | 3p | 4.588348 | -.38651781 |
| 3 | 2p | 9.538850 | .08595435 |
| 4 | 3p | 41.005102 | .00002605 |
| 5 | 5p | 2.910305 | .00139880 |
| 6 | 4p | 11.233698 | .01808905 |
| 7 | 4p | 3.335362 | -.00335165 |
| 8 | 3p | .696818 | .00017087 |
| ORB.ENERGY,a.u. | -5.270400 | ||
| NORM | 1.000000 | < R > | .565085 | < R2 > | .397473 | < 1/R > | 2.310653 | < 1/R**2 > | 7.492334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.644462 | .34927750 |
| 2 | 2s | 5.137767 | -.82783360 |
| 3 | 3s | 4.361884 | -.30192163 |
| 4 | 4s | 16.730960 | .00530652 |
| 5 | 3s | 15.403177 | .00651401 |
| 6 | 5s | 34.276888 | .00030352 |
| 7 | 5s | 3.681576 | -.00107313 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602087 | < R2 > | .430338 | < 1/R > | 2.417003 | < 1/R**2 > | 24.034422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91349757 |
| 2 | 1s | 18.069721 | .08416731 |
| 3 | 2s | 6.984054 | .01940391 |
| 4 | 3s | 8.836104 | -.02059185 |
| 5 | 4s | 11.207377 | .01068376 |
| 6 | 5s | 31.018878 | .00096556 |
| 7 | 4s | 73.160672 | -.00004088 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120145 | < R2 > | .019412 | < 1/R > | 12.596444 | < 1/R**2 > | 320.409399 |
Total Energy= -236.15849973 a.u.
Kinetic Energy= 236.14586258 a.u.
Potential Energy= -472.30436231 a.u.
Virial Ratio = -2.00005351