(1s 2 2s 1 3s 1 ) 3 S Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 9.508721 | .24401041 |
| 2 | 2s | 4.181987 | -1.21045395 |
| 3 | 3s | 3.462322 | 1.80421128 |
| 4 | 4s | 6.355725 | -.12121167 |
| 5 | 5s | 11.157038 | -.02523597 |
| 6 | 4s | 21.666942 | .00296743 |
| 7 | 5s | 3.259544 | -.00834938 |
| 8 | 3s | 29.433961 | .00029328 |
| ORB.ENERGY,a.u. | -6.166200 | ||
| NORM | 1.000000 | < R > | 1.229114 | < R2 > | 1.708351 | < 1/R > | 1.175268 | < 1/R**2 > | 8.227867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.915032 | .40324179 |
| 2 | 2s | 5.346162 | -.79509729 |
| 3 | 3s | 6.781605 | -.29805090 |
| 4 | 5s | 11.823448 | -.02822332 |
| 5 | 4s | 22.518929 | .00349969 |
| 6 | 5s | 6.511993 | .01125201 |
| 7 | 3s | 30.274809 | .00027770 |
| 8 | 4s | 3.303379 | .00020594 |
| ORB.ENERGY,a.u. | -15.369000 | ||
| NORM | 1.000000 | < R > | .510951 | < R2 > | .304606 | < 1/R > | 2.882578 | < 1/R**2 > | 33.545181 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.433326 | .94048617 |
| 2 | 1s | 20.055756 | .04886772 |
| 3 | 2s | 15.001101 | .01478276 |
| 4 | 3s | 8.247392 | .00313594 |
| 5 | 4s | 51.981315 | -.00052586 |
| 6 | 5s | 69.206515 | .00019125 |
| 7 | 5s | 6.040726 | .00458528 |
| 8 | 4s | 5.128979 | -.00540687 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119043 | < R2 > | .018983 | < 1/R > | 12.671626 | < 1/R**2 > | 323.397459 |
Total Energy= -183.30388415 a.u.
Kinetic Energy= 183.34137531 a.u.
Potential Energy= -366.64525946 a.u.
Virial Ratio = -1.99979551