(1s 2 2s 2 2p 2 3s 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 10.636718 | .15297216 |
| 2 | 2s | 3.675474 | -.84181322 |
| 3 | 3s | 2.710962 | 1.44871378 |
| 4 | 4s | 8.658072 | -.02278862 |
| 5 | 5s | 15.414531 | -.00583225 |
| 6 | 5s | 1.736156 | .00014414 |
| 7 | 2s | 74.408701 | .00000216 |
| ORB.ENERGY,a.u. | -3.560500 | ||
| NORM | 1.000000 | < R > | 1.505571 | < R2 > | 2.548128 | < 1/R > | .907799 | < 1/R**2 > | 4.722029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.831635 | 1.16452367 |
| 2 | 3p | 5.796587 | -.18875290 |
| 3 | 2p | 12.725644 | .02136036 |
| 4 | 4p | 15.522311 | .00856187 |
| 5 | 5p | 22.276501 | -.00199541 |
| 6 | 5p | 4.363152 | .00063210 |
| 7 | 4p | 61.097601 | .00003406 |
| ORB.ENERGY,a.u. | -9.606900 | ||
| NORM | 1.000000 | < R > | .492532 | < R2 > | .295463 | < 1/R > | 2.586289 | < 1/R**2 > | 9.138515 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.280863 | .40365190 |
| 2 | 2s | 5.549326 | -.86282368 |
| 3 | 3s | 5.449074 | -.28374849 |
| 4 | 4s | 21.852263 | .00318546 |
| 5 | 3s | 11.203281 | .02841772 |
| 6 | 5s | 5.858155 | -.02902850 |
| 7 | 4s | 2.782669 | .01712072 |
| 8 | 3s | 2.252805 | -.00704660 |
| 9 | 5s | 60.635992 | .00003396 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .549662 | < R2 > | .353704 | < 1/R > | 2.650623 | < 1/R**2 > | 28.523018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.233675 | .90313899 |
| 2 | 1s | 17.843921 | .09071922 |
| 3 | 2s | 9.471673 | .02222657 |
| 4 | 3s | 11.787080 | -.01092488 |
| 5 | 5s | 31.766605 | .00107097 |
| 6 | 5s | 3.547903 | -.00096477 |
| 7 | 3s | 53.827263 | -.00006655 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119635 | < R2 > | .019210 | < 1/R > | 12.629806 | < 1/R**2 > | 321.710266 |
Total Energy= -217.82734969 a.u.
Kinetic Energy= 217.78505842 a.u.
Potential Energy= -435.61240810 a.u.
Virial Ratio = -2.00019419