(1s 2 2s 2 2p 5 4p 1 ) 3 S Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 5.692636 | .16235293 |
| 2 | 3p | .779430 | 2.34585275 |
| 3 | 4p | 1.965842 | -1.01155782 |
| 4 | 5p | 3.702295 | -.15125541 |
| 5 | 3p | 23.336211 | -.00050122 |
| 6 | 5p | .925670 | -.94863429 |
| 7 | 4p | 12.593602 | -.01599410 |
| 8 | 5p | 15.701504 | .00652413 |
| 9 | 4p | .470104 | -.00455863 |
| ORB.ENERGY,a.u. | -.662540 | ||
| NORM | .999999 | < R > | 4.330144 | < R2 > | 21.212799 | < 1/R > | .323616 | < 1/R**2 > | .325798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.846117 | 1.28848979 |
| 2 | 3p | 4.574770 | -.38101686 |
| 3 | 2p | 9.501704 | .08763091 |
| 4 | 4p | 11.178193 | .01842691 |
| 5 | 4p | 2.184032 | .00217257 |
| 6 | 5p | 1.359988 | -.00229100 |
| 7 | 3p | 42.273394 | .00002451 |
| ORB.ENERGY,a.u. | -5.283200 | ||
| NORM | 1.000000 | < R > | .566146 | < R2 > | .399266 | < 1/R > | 2.307666 | < 1/R**2 > | 7.476350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.654572 | .34860565 |
| 2 | 2s | 5.133354 | -.82578299 |
| 3 | 3s | 4.385710 | -.30038506 |
| 4 | 4s | 17.053756 | .00494757 |
| 5 | 3s | 15.326230 | .00654104 |
| 6 | 5s | 34.798519 | .00025018 |
| 7 | 5s | 4.310319 | -.00426852 |
| 8 | 4s | .997716 | .00010465 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602386 | < R2 > | .430800 | < 1/R > | 2.415797 | < 1/R**2 > | 24.012062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197042 | .91350136 |
| 2 | 1s | 18.070159 | .08416562 |
| 3 | 2s | 6.981080 | .01942026 |
| 4 | 3s | 8.827499 | -.02061221 |
| 5 | 4s | 11.194710 | .01070951 |
| 6 | 5s | 30.895135 | .00095650 |
| 7 | 4s | 73.121918 | -.00004359 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120150 | < R2 > | .019414 | < 1/R > | 12.596098 | < 1/R**2 > | 320.395586 |
Total Energy= -236.28837635 a.u.
Kinetic Energy= 236.30525877 a.u.
Potential Energy= -472.59363512 a.u.
Virial Ratio = -1.99992856