(1s 2 2s 2 2p 1 3s 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 10.389757 | .18907871 |
| 2 | 2s | 3.754340 | -1.04895385 |
| 3 | 3s | 3.023136 | 1.61537969 |
| 4 | 4s | 8.346819 | -.04795137 |
| 5 | 5s | 14.813720 | -.00816185 |
| 6 | 5s | 2.792653 | .00479069 |
| 7 | 4s | 62.095954 | -.00001619 |
| ORB.ENERGY,a.u. | -4.419200 | ||
| NORM | 1.000000 | < R > | 1.374037 | < R2 > | 2.139635 | < 1/R > | 1.042722 | < 1/R**2 > | 6.552755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.164230 | 1.08016080 |
| 2 | 3p | 6.311379 | -.10173950 |
| 3 | 2p | 12.519426 | .01827461 |
| 4 | 5p | 14.750690 | .00293125 |
| 5 | 4p | 26.685924 | -.00042927 |
| 6 | 5p | 5.047056 | .01060502 |
| 7 | 5p | 84.440294 | -.00000639 |
| 8 | 4p | 4.695393 | -.00060774 |
| ORB.ENERGY,a.u. | -11.291000 | ||
| NORM | 1.000000 | < R > | .474449 | < R2 > | .273259 | < 1/R > | 2.672350 | < 1/R**2 > | 9.698770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.623489 | .34251212 |
| 2 | 2s | 4.314315 | -.82967641 |
| 3 | 3s | 7.195519 | -.32170772 |
| 4 | 4s | 4.937370 | .11344032 |
| 5 | 5s | 14.907470 | -.01199981 |
| 6 | 5s | 3.318241 | -.00291117 |
| 7 | 3s | 48.367504 | -.00017150 |
| 8 | 4s | 79.150581 | .00004545 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541353 | < R2 > | .343929 | < 1/R > | 2.701498 | < 1/R**2 > | 29.578648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.173079 | .91816719 |
| 2 | 1s | 18.278003 | .08381245 |
| 3 | 2s | 10.179981 | .01168294 |
| 4 | 3s | 13.110568 | -.01091405 |
| 5 | 4s | 78.167414 | -.00003135 |
| 6 | 5s | 31.560635 | .00112575 |
| 7 | 5s | 4.018988 | .00026351 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119337 | < R2 > | .019091 | < 1/R > | 12.649637 | < 1/R**2 > | 322.489565 |
Total Energy= -208.16722366 a.u.
Kinetic Energy= 208.18147918 a.u.
Potential Energy= -416.34870284 a.u.
Virial Ratio = -1.99993152