(1s 2 2s 2 4s 1 ) 2 S Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 10.173376 | .13002973 |
| 2 | 2s | 2.738158 | -1.66833013 |
| 3 | 3s | 2.591560 | 4.08360201 |
| 4 | 4s | 2.393761 | -3.19937479 |
| 5 | 5s | 4.795313 | .11915441 |
| 6 | 4s | 9.364611 | -.03102076 |
| 7 | 5s | 28.905524 | .00037707 |
| 8 | 4s | 12.300126 | -.00221861 |
| ORB.ENERGY,a.u. | -2.831600 | ||
| NORM | 1.000000 | < R > | 2.395505 | < R2 > | 6.444896 | < 1/R > | .604609 | < 1/R**2 > | 2.895114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.964571 | .38605881 |
| 2 | 2s | 5.195909 | -.80084541 |
| 3 | 3s | 6.649274 | -.28433637 |
| 4 | 5s | 12.551690 | -.02129253 |
| 5 | 4s | 25.868678 | .00324312 |
| 6 | 5s | 37.431985 | -.00059477 |
| 7 | 4s | 11.095159 | .00323476 |
| 8 | 5s | 2.589037 | .00044218 |
| ORB.ENERGY,a.u. | -13.956000 | ||
| NORM | 1.000000 | < R > | .524694 | < R2 > | .321705 | < 1/R > | 2.790244 | < 1/R**2 > | 31.384721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.273858 | .94159664 |
| 2 | 1s | 20.153114 | .05664705 |
| 3 | 2s | 13.052637 | .01995029 |
| 4 | 3s | 14.984944 | -.01617900 |
| 5 | 5s | 28.442584 | .00113972 |
| 6 | 4s | 63.585096 | -.00008797 |
| ORB.ENERGY,a.u. | -71.339000 |
| NORM | 1.000000 | < R > | .119030 | < R2 > | .018973 | < 1/R > | 12.670778 | < 1/R**2 > | 323.331562 |
Total Energy= -194.47169826 a.u.
Kinetic Energy= 194.47168174 a.u.
Potential Energy= -388.94338000 a.u.
Virial Ratio = -2.00000008