(1s 2 2s 2 2p 6 5s 1 ) 2 S Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 11.076856 | .03209805 |
| 2 | 2s | 3.750378 | -.14668596 |
| 3 | 3s | 1.499449 | .67012013 |
| 4 | 4s | .928695 | -1.91946534 |
| 5 | 5s | .753585 | 1.98350924 |
| 6 | 5s | 6.718675 | .01126926 |
| 7 | 4s | 11.367781 | -.00368086 |
| ORB.ENERGY,a.u. | -.266330 | ||
| NORM | 1.000000 | < R > | 8.482813 | < R2 > | 80.640455 | < 1/R > | .164106 | < 1/R**2 > | .252795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.147533 | .54196757 |
| 2 | 3p | 4.659664 | .45389699 |
| 3 | 4p | 3.760726 | .10140148 |
| 4 | 5p | 4.494772 | .00720419 |
| 5 | 2p | 13.772783 | .01119481 |
| 6 | 5p | 10.931594 | -.00863110 |
| 7 | 4p | 45.770291 | .00003261 |
| 8 | 4p | 3.054287 | .00316252 |
| 9 | 3p | 66.545973 | .00000439 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596315 | < R2 > | .447376 | < 1/R > | 2.215220 | < 1/R**2 > | 6.967615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.770300 | .33370008 |
| 2 | 4s | 1.946250 | -.00620315 |
| 3 | 2s | 5.102465 | -.79960440 |
| 4 | 3s | 4.169060 | -.32975381 |
| 5 | 4s | 17.464363 | .01131703 |
| 6 | 3s | 28.025300 | .00209728 |
| 7 | 5s | 30.623569 | .00124938 |
| 8 | 5s | 2.138335 | .00481758 |
| 9 | 2s | 53.805027 | .00006977 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619416 | < R2 > | .457685 | < 1/R > | 2.350446 | < 1/R**2 > | 22.819329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586519 | 1.01575138 |
| 2 | 2s | 17.933108 | -.02458947 |
| 3 | 3s | 8.796191 | .02359765 |
| 4 | 4s | 40.479553 | -.00023243 |
| 5 | 4s | 30.232111 | .00036111 |
| 6 | 2s | 63.816715 | .00003193 |
| 7 | 5s | 10.843310 | -.00897656 |
| 8 | 3s | 4.328005 | .00028095 |
| 9 | 2s | 131.810074 | -.00000019 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120257 | < R2 > | .019458 | < 1/R > | 12.589430 | < 1/R**2 > | 320.138359 |
Total Energy= -240.26644725 a.u.
Kinetic Energy= 240.26644740 a.u.
Potential Energy= -480.53289465 a.u.
Virial Ratio = -2.00000000