(1s 2 2s 2 2p 1 4d 1 ) 3 F Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 2.447813 | 1.13190287 |
| 2 | 4d | 2.006274 | -1.66109265 |
| 3 | 3d | 5.105570 | .04873588 |
| 4 | 5d | 1.412074 | .02438930 |
| 5 | 4d | 18.028704 | .00059353 |
| 6 | 5d | 11.824491 | .00319376 |
| 7 | 3d | 25.608017 | .00006135 |
| 8 | 5d | 1.346922 | -.01729832 |
| ORB.ENERGY,a.u. | -2.080400 | ||
| NORM | 1.000000 | < R > | 2.506144 | < R2 > | 7.195276 | < 1/R > | .531083 | < 1/R**2 > | .469346 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.168566 | 1.08441242 |
| 2 | 3p | 6.339039 | -.10871639 |
| 3 | 2p | 12.756574 | .01714956 |
| 4 | 5p | 15.680111 | .00388310 |
| 5 | 5p | 2.881235 | -.00175889 |
| 6 | 4p | 4.980658 | .01139270 |
| 7 | 5p | 41.954285 | -.00005190 |
| ORB.ENERGY,a.u. | -11.626000 | ||
| NORM | 1.000000 | < R > | .473552 | < R2 > | .271922 | < 1/R > | 2.675965 | < 1/R**2 > | 9.723534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.340205 | .35632104 |
| 2 | 2s | 4.733489 | -.80179089 |
| 3 | 3s | 7.011628 | -.27837387 |
| 4 | 4s | 24.576778 | .00140284 |
| 5 | 5s | 13.749896 | -.01312705 |
| 6 | 5s | 5.255214 | .01842980 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539275 | < R2 > | .340627 | < 1/R > | 2.709251 | < 1/R**2 > | 29.717950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175463 | .92355305 |
| 2 | 1s | 18.807359 | .07740426 |
| 3 | 2s | 11.021045 | .01795826 |
| 4 | 3s | 13.751821 | -.01643439 |
| 5 | 4s | 68.450022 | -.00005562 |
| 6 | 5s | 30.182050 | .00102915 |
| 7 | 5s | 7.848730 | .00009342 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119326 | < R2 > | .019087 | < 1/R > | 12.650624 | < 1/R**2 > | 322.534842 |
Total Energy= -205.83154326 a.u.
Kinetic Energy= 205.85011751 a.u.
Potential Energy= -411.68166077 a.u.
Virial Ratio = -1.99990977