(1s 2 2s 2 2p 2 3p 1 ) 4 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 2p | 3.627327 | .61148539 |
| 2 | 3p | 2.558367 | -1.33300842 |
| 3 | 2p | 10.144929 | .02579738 |
| 4 | 4p | 6.425843 | -.04094428 |
| 5 | 5p | 15.810405 | .00205253 |
| 6 | 5p | 3.948045 | .02234139 |
| ORB.ENERGY,a.u. | -3.216900 | ||
| NORM | 1.000000 | < R > | 1.550465 | < R2 > | 2.695020 | < 1/R > | .803411 | < 1/R**2 > | 1.184182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.701358 | 1.25706709 |
| 2 | 3p | 5.138587 | -.27943076 |
| 3 | 2p | 12.605612 | .02361874 |
| 4 | 4p | 11.310337 | .00518647 |
| 5 | 5p | 10.592491 | -.01331481 |
| 6 | 5p | 6.128130 | .02457173 |
| 7 | 4p | 2.946850 | -.06265601 |
| 8 | 4p | 53.162837 | .00002448 |
| 9 | 5p | 2.337286 | -.00196783 |
| ORB.ENERGY,a.u. | -9.550700 | ||
| NORM | 1.000000 | < R > | .478198 | < R2 > | .276373 | < 1/R > | 2.638062 | < 1/R**2 > | 9.431877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.540973 | .38519072 |
| 2 | 2s | 5.381549 | -.83651006 |
| 3 | 3s | 5.587876 | -.27326124 |
| 4 | 4s | 21.124969 | .00247350 |
| 5 | 3s | 12.832084 | .01480822 |
| 6 | 5s | 5.375016 | -.03366054 |
| 7 | 5s | 2.968996 | -.00026367 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555715 | < R2 > | .362887 | < 1/R > | 2.624956 | < 1/R**2 > | 28.029562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.156692 | .92056878 |
| 2 | 1s | 18.855954 | .07893784 |
| 3 | 2s | 11.361709 | .01918733 |
| 4 | 3s | 14.450954 | -.01545291 |
| 5 | 5s | 30.557570 | .00102470 |
| 6 | 4s | 69.723724 | -.00004891 |
| 7 | 5s | 10.577545 | .00068667 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119636 | < R2 > | .019208 | < 1/R > | 12.629568 | < 1/R**2 > | 321.701945 |
Total Energy= -217.46191698 a.u.
Kinetic Energy= 217.44585071 a.u.
Potential Energy= -434.90776769 a.u.
Virial Ratio = -2.00007389