(1s 2 2s 2 2p 3 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 4.599937 | 1.22636124 |
| 2 | 3p | 5.738109 | -.25758768 |
| 3 | 2p | 11.599525 | .02815258 |
| 4 | 4p | 12.974023 | .00682829 |
| 5 | 5p | 28.920265 | -.00024050 |
| 6 | 5p | 3.970823 | .00649447 |
| 7 | 4p | 3.020725 | -.00205661 |
| ORB.ENERGY,a.u. | -8.388000 | ||
| NORM | 1.000000 | < R > | .516019 | < R2 > | .326739 | < 1/R > | 2.489774 | < 1/R**2 > | 8.548727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.554280 | .37522568 |
| 2 | 2s | 5.325863 | -.83347471 |
| 3 | 3s | 5.227848 | -.27583088 |
| 4 | 4s | 20.935870 | .00243521 |
| 5 | 3s | 12.997766 | .01355937 |
| 6 | 5s | 5.307249 | -.03133770 |
| 7 | 5s | 3.023139 | -.00012867 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .568501 | < R2 > | .380606 | < 1/R > | 2.562535 | < 1/R**2 > | 26.799540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.149955 | .92276330 |
| 2 | 1s | 18.980370 | .07699831 |
| 3 | 2s | 11.361111 | .01898282 |
| 4 | 3s | 14.978936 | -.01534120 |
| 5 | 5s | 31.135464 | .00116913 |
| 6 | 5s | 9.911932 | .00109671 |
| 7 | 4s | 78.084705 | -.00003203 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119810 | < R2 > | .019277 | < 1/R > | 12.618188 | < 1/R**2 > | 321.256863 |
Total Energy= -223.11507272 a.u.
Kinetic Energy= 222.61592045 a.u.
Potential Energy= -445.73099317 a.u.
Virial Ratio = -2.00224221