(1s 2 2s 2 2p 5 4p 1 ) 1 S Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4.991588 | .12145615 |
| 2 | 3p | .891404 | 2.06354359 |
| 3 | 4p | 1.722055 | -1.44666060 |
| 4 | 5p | 3.167572 | -.17769796 |
| 5 | 3p | 7.125363 | -.02593351 |
| 6 | 5p | .886606 | -.23773390 |
| 7 | 4p | 22.017292 | -.00026148 |
| 8 | 3p | .591530 | .05316177 |
| 9 | 5p | 66.194259 | -.00000816 |
| ORB.ENERGY,a.u. | -.610200 | ||
| NORM | .999997 | < R > | 4.726679 | < R2 > | 25.146084 | < 1/R > | .273439 | < 1/R**2 > | .163292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.942654 | 1.29295039 |
| 2 | 3p | 4.792830 | -.36792451 |
| 3 | 2p | 9.742965 | .07438606 |
| 4 | 4p | 10.875521 | .01362125 |
| 5 | 5p | 1.292941 | .01980459 |
| 6 | 4p | 1.684359 | -.01565585 |
| 7 | 5p | 16.275174 | .00191432 |
| 8 | 3p | .814336 | .00597216 |
| ORB.ENERGY,a.u. | -5.230900 | ||
| NORM | 1.000000 | < R > | .564427 | < R2 > | .401237 | < 1/R > | 2.313636 | < 1/R**2 > | 7.505351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.645735 | .34907211 |
| 2 | 2s | 5.122630 | -.83340986 |
| 3 | 3s | 4.277599 | -.30643405 |
| 4 | 4s | 17.040770 | .00493978 |
| 5 | 3s | 15.271759 | .00672587 |
| 6 | 5s | 34.879636 | .00024101 |
| 7 | 5s | 4.878134 | .01131037 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602277 | < R2 > | .430599 | < 1/R > | 2.416072 | < 1/R**2 > | 24.016270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197042 | .91349995 |
| 2 | 1s | 18.070368 | .08416657 |
| 3 | 2s | 6.980737 | .01942085 |
| 4 | 3s | 8.828884 | -.02060851 |
| 5 | 4s | 11.195262 | .01070744 |
| 6 | 5s | 30.926806 | .00095750 |
| 7 | 4s | 73.103119 | -.00004284 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .120150 | < R2 > | .019414 | < 1/R > | 12.596126 | < 1/R**2 > | 320.396885 |
Total Energy= -236.27464908 a.u.
Kinetic Energy= 236.25300324 a.u.
Potential Energy= -472.52765232 a.u.
Virial Ratio = -2.00009162