(1s 2 2s 2 2p 3 4s 1 ) 5 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 10.898665 | .08918536 |
| 2 | 2s | 2.490546 | -1.20806384 |
| 3 | 3s | 2.412355 | 2.51800873 |
| 4 | 4s | 1.699079 | -1.71990129 |
| 5 | 5s | 3.536190 | -.24482036 |
| 6 | 4s | 10.946639 | -.02654659 |
| 7 | 5s | 14.751957 | .00434013 |
| 8 | 5s | 55.495605 | -.00006052 |
| 9 | 5s | 1.426600 | .01569361 |
| ORB.ENERGY,a.u. | -1.464000 | ||
| NORM | 1.000000 | < R > | 3.096352 | < R2 > | 10.770747 | < 1/R > | .460256 | < 1/R**2 > | 1.725908 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.768874 | 1.38565891 |
| 2 | 3p | 6.162381 | -.48833858 |
| 3 | 4p | 7.648990 | .09648738 |
| 4 | 5p | 22.359924 | -.00248119 |
| 5 | 4p | 3.138876 | .01434453 |
| 6 | 4p | 29.114119 | -.00120616 |
| 7 | 5p | 3.128949 | -.00785738 |
| 8 | 3p | 2.142201 | .00065993 |
| 9 | 3p | 40.538673 | -.00010401 |
| ORB.ENERGY,a.u. | -8.475100 | ||
| NORM | 1.000000 | < R > | .511057 | < R2 > | .319714 | < 1/R > | 2.506562 | < 1/R**2 > | 8.636780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.409315 | .38202841 |
| 2 | 2s | 5.376454 | -.85936050 |
| 3 | 3s | 4.854624 | -.29029400 |
| 4 | 4s | 21.820717 | .00221129 |
| 5 | 3s | 12.086757 | .02017984 |
| 6 | 5s | 3.327966 | -.00696560 |
| 7 | 4s | 1.668851 | .00921896 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .570226 | < R2 > | .383330 | < 1/R > | 2.555293 | < 1/R**2 > | 26.662037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169472 | .91844208 |
| 2 | 1s | 18.561896 | .08070319 |
| 3 | 2s | 10.171143 | .01818278 |
| 4 | 3s | 14.630668 | -.01522363 |
| 5 | 4s | 22.429137 | .00322750 |
| 6 | 5s | 40.353139 | .00028100 |
| 7 | 5s | 7.039320 | .00026694 |
| 8 | 4s | 1.524586 | -.00234739 |
| 9 | 3s | 1.270876 | .00205664 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119819 | < R2 > | .019283 | < 1/R > | 12.617528 | < 1/R**2 > | 321.229194 |
Total Energy= -224.56985629 a.u.
Kinetic Energy= 224.58079314 a.u.
Potential Energy= -449.15064944 a.u.
Virial Ratio = -1.99995130