(1s 2 2s 2 2p 3 ) 2 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 2p- electron | |
| 1 | 2p | 4.620902 | 1.22238939 |
| 2 | 3p | 5.734511 | -.25172324 |
| 3 | 2p | 11.777998 | .02649074 |
| 4 | 4p | 13.004636 | .00635171 |
| 5 | 5p | 28.792474 | -.00024673 |
| 6 | 5p | 3.924080 | .00565019 |
| 7 | 4p | 2.990998 | -.00193795 |
| ORB.ENERGY,a.u. | -8.588500 | ||
| NORM | 1.000000 | < R > | .513696 | < R2 > | .323438 | < 1/R > | 2.497718 | < 1/R**2 > | 8.591349 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.558148 | .37488874 |
| 2 | 2s | 5.322548 | -.83315412 |
| 3 | 3s | 5.229105 | -.27564718 |
| 4 | 4s | 20.942233 | .00243355 |
| 5 | 3s | 13.002680 | .01347420 |
| 6 | 5s | 5.305714 | -.03149508 |
| 7 | 5s | 2.992901 | -.00012428 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .568670 | < R2 > | .380834 | < 1/R > | 2.561673 | < 1/R**2 > | 26.782455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.164902 | .92086264 |
| 2 | 1s | 19.271335 | .07534599 |
| 3 | 2s | 13.244084 | .02003018 |
| 4 | 3s | 15.939868 | -.01304379 |
| 5 | 5s | 30.900020 | .00108698 |
| 6 | 4s | 7.148008 | .00042950 |
| 7 | 5s | 12.280036 | .00199807 |
| 8 | 3s | 51.308523 | -.00008400 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119815 | < R2 > | .019279 | < 1/R > | 12.617849 | < 1/R**2 > | 321.243478 |
Total Energy= -223.11729885 a.u.
Kinetic Energy= 222.81614066 a.u.
Potential Energy= -445.93343952 a.u.
Virial Ratio = -2.00135160