(1s 2 2s 2 2p 3 3p 1 ) 5 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 2.388816 | 1.19829252 |
| 2 | 3p | 2.459534 | -1.85982064 |
| 3 | 2p | 7.782282 | .10568503 |
| 4 | 4p | 4.543035 | -.15143372 |
| 5 | 5p | 12.217871 | .00695748 |
| 6 | 5p | 2.165361 | -.08486274 |
| 7 | 4p | 26.531105 | -.00046382 |
| 8 | 4p | 1.877556 | .05952735 |
| 9 | 3p | 40.806123 | -.00003656 |
| ORB.ENERGY,a.u. | -2.555500 | ||
| NORM | 1.000000 | < R > | 1.630947 | < R2 > | 3.042137 | < 1/R > | .826812 | < 1/R**2 > | 1.462157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.782221 | 1.37376617 |
| 2 | 3p | 6.254201 | -.46987494 |
| 3 | 4p | 7.885013 | .08942420 |
| 4 | 4p | 20.588139 | -.00244494 |
| 5 | 5p | 3.783981 | .01412339 |
| 6 | 3p | 26.187653 | -.00043089 |
| 7 | 5p | 3.144611 | -.00629325 |
| 8 | 3p | 1.998488 | .00305578 |
| ORB.ENERGY,a.u. | -8.107900 | ||
| NORM | 1.000000 | < R > | .512565 | < R2 > | .322118 | < 1/R > | 2.501989 | < 1/R**2 > | 8.611982 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.497584 | .37643345 |
| 2 | 2s | 5.332804 | -.84557166 |
| 3 | 3s | 5.014150 | -.28205499 |
| 4 | 4s | 21.484187 | .00226872 |
| 5 | 3s | 12.462054 | .01651768 |
| 6 | 5s | 4.933576 | -.01730175 |
| 7 | 4s | 2.837612 | -.00067715 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .571358 | < R2 > | .384844 | < 1/R > | 2.550021 | < 1/R**2 > | 26.559796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.167065 | .92005166 |
| 2 | 1s | 18.723557 | .07886447 |
| 3 | 2s | 10.810353 | .01805900 |
| 4 | 3s | 15.269105 | -.01487785 |
| 5 | 4s | 23.742990 | .00309879 |
| 6 | 5s | 42.259524 | .00013617 |
| 7 | 5s | 9.579418 | .00077598 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119855 | < R2 > | .019295 | < 1/R > | 12.615057 | < 1/R**2 > | 321.132464 |
Total Energy= -225.62898354 a.u.
Kinetic Energy= 225.67285043 a.u.
Potential Energy= -451.30183396 a.u.
Virial Ratio = -1.99980562