(1s 2 2s 2 2p 2 4p 1 ) 2 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 5.946355 | .23888705 |
| 2 | 3p | 1.784341 | -.55312364 |
| 3 | 5p | 2.010185 | 1.32771003 |
| 4 | 4p | 3.127923 | -.62237088 |
| 5 | 5p | 7.826571 | .02674059 |
| 6 | 4p | 18.931104 | -.00236163 |
| 7 | 5p | 2.455148 | .30668538 |
| 8 | 5p | 44.544676 | -.00018338 |
| 9 | 4p | 68.739110 | -.00003542 |
| 10 | 4p | .589113 | .00027154 |
| ORB.ENERGY,a.u. | -1.765100 | ||
| NORM | 1.000000 | < R > | 2.857180 | < R2 > | 9.230249 | < 1/R > | .494270 | < 1/R**2 > | .696160 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.790636 | 1.17597395 |
| 2 | 3p | 5.613134 | -.20581501 |
| 3 | 2p | 12.362801 | .02482669 |
| 4 | 4p | 14.523242 | .00975034 |
| 5 | 5p | 1.605404 | -.00092423 |
| 6 | 5p | 20.845087 | -.00190003 |
| 7 | 4p | 56.493839 | .00004057 |
| 8 | 3p | 1.015827 | .00059605 |
| ORB.ENERGY,a.u. | -10.010000 | ||
| NORM | 1.000000 | < R > | .491003 | < R2 > | .293638 | < 1/R > | 2.593770 | < 1/R**2 > | 9.187211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.494176 | .38879888 |
| 2 | 2s | 5.429744 | -.83533148 |
| 3 | 3s | 5.664829 | -.27294078 |
| 4 | 4s | 21.698614 | .00242870 |
| 5 | 3s | 12.273164 | .01823066 |
| 6 | 5s | 5.646249 | -.04251286 |
| 7 | 4s | 1.479704 | .00016174 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554172 | < R2 > | .360645 | < 1/R > | 2.632039 | < 1/R**2 > | 28.167584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158484 | .91998485 |
| 2 | 1s | 18.807832 | .07950800 |
| 3 | 2s | 11.270064 | .01920785 |
| 4 | 3s | 14.401643 | -.01548745 |
| 5 | 5s | 30.656017 | .00111355 |
| 6 | 4s | 73.312891 | -.00004002 |
| 7 | 5s | 9.892160 | .00055177 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119610 | < R2 > | .019198 | < 1/R > | 12.631337 | < 1/R**2 > | 321.772136 |
Total Energy= -215.96224833 a.u.
Kinetic Energy= 215.99475383 a.u.
Potential Energy= -431.95700217 a.u.
Virial Ratio = -1.99984951