(1s 2 2s 2 2p 6 4p 1 ) 2 P Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 4.097860 | .25915261 |
| 2 | 3p | 5.468242 | -.13114066 |
| 3 | 4p | 1.701772 | -.56053808 |
| 4 | 5p | 1.010084 | .98975167 |
| 5 | 4p | 7.080236 | .01892165 |
| 6 | 3p | 2.052669 | -.19260300 |
| 7 | 2p | .596256 | .20757980 |
| 8 | 3p | 14.337405 | -.00072607 |
| ORB.ENERGY,a.u. | -.387720 | ||
| NORM | 1.000000 | < R > | 5.526414 | < R2 > | 34.582571 | < 1/R > | .248922 | < 1/R**2 > | .189469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.148772 | .54160626 |
| 2 | 3p | 4.659688 | .45416976 |
| 3 | 4p | 3.745855 | .10179958 |
| 4 | 5p | 4.660906 | .00702318 |
| 5 | 2p | 13.771309 | .01118469 |
| 6 | 5p | 10.947737 | -.00853396 |
| 7 | 4p | 46.377728 | .00003280 |
| 8 | 4p | 3.018538 | .00315686 |
| 9 | 3p | 69.627634 | .00000399 |
| 10 | 5p | .812832 | -.00007401 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596512 | < R2 > | .447728 | < 1/R > | 2.214697 | < 1/R**2 > | 6.964858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.768309 | .33363220 |
| 2 | 4s | 1.904166 | -.00697481 |
| 3 | 2s | 5.101516 | -.79950960 |
| 4 | 3s | 4.165871 | -.32986979 |
| 5 | 4s | 17.402213 | .01120596 |
| 6 | 3s | 27.766942 | .00212125 |
| 7 | 5s | 30.321720 | .00126757 |
| 8 | 5s | 2.083488 | .00548475 |
| 9 | 2s | 54.129263 | .00006692 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619733 | < R2 > | .458212 | < 1/R > | 2.349315 | < 1/R**2 > | 22.799039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586389 | 1.01575476 |
| 2 | 2s | 17.936601 | -.02459466 |
| 3 | 3s | 8.791914 | .02361449 |
| 4 | 4s | 40.295889 | -.00023228 |
| 5 | 4s | 30.178884 | .00036110 |
| 6 | 2s | 63.230891 | .00003272 |
| 7 | 5s | 10.834942 | -.00898556 |
| 8 | 3s | 4.346502 | .00027924 |
| 9 | 2s | 188.745894 | -.00000008 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120259 | < R2 > | .019459 | < 1/R > | 12.589243 | < 1/R**2 > | 320.131207 |
Total Energy= -240.38800164 a.u.
Kinetic Energy= 240.38800142 a.u.
Potential Energy= -480.77600307 a.u.
Virial Ratio = -2.00000000