(1s 2 2s 2 2p 4 4s 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 11.291254 | .07283597 |
| 2 | 2s | 2.155595 | -1.25975478 |
| 3 | 3s | 2.282813 | 2.37932653 |
| 4 | 4s | 1.436475 | -1.54213516 |
| 5 | 5s | 3.403849 | -.25099715 |
| 6 | 4s | 10.274952 | -.02686747 |
| 7 | 5s | 20.014637 | -.00193069 |
| 8 | 5s | 1.249109 | .09237425 |
| 9 | 4s | 27.447404 | -.00049710 |
| 10 | 4s | .858853 | -.01205114 |
| 11 | 2s | 45.513814 | .00002982 |
| ORB.ENERGY,a.u. | -1.084200 | ||
| NORM | .999999 | < R > | 3.486524 | < R2 > | 13.658995 | < 1/R > | .403057 | < 1/R**2 > | 1.303160 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.150991 | 1.24508887 |
| 2 | 3p | 4.891520 | -.31806622 |
| 3 | 2p | 9.990023 | .06808495 |
| 4 | 4p | 11.574485 | .01460214 |
| 5 | 5p | 29.752643 | -.00015532 |
| 6 | 5p | 1.401168 | -.00015745 |
| ORB.ENERGY,a.u. | -6.550400 | ||
| NORM | 1.000000 | < R > | .537803 | < R2 > | .356980 | < 1/R > | 2.404578 | < 1/R**2 > | 8.030758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.625116 | .31470845 |
| 2 | 2s | 4.312203 | -.76938650 |
| 3 | 3s | 7.229236 | -.23847633 |
| 4 | 4s | 5.695589 | -.05028335 |
| 5 | 5s | 15.065381 | -.01071861 |
| 6 | 4s | 1.540297 | .01845750 |
| 7 | 3s | 1.392931 | -.01667464 |
| 8 | 3s | 37.990187 | -.00006684 |
| 9 | 4s | 38.522148 | .00008673 |
| 10 | 5s | 59.191053 | -.00003277 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585870 | < R2 > | .405982 | < 1/R > | 2.484969 | < 1/R**2 > | 25.310955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.249908 | .92458174 |
| 2 | 1s | 18.409953 | .07300282 |
| 3 | 2s | 6.779480 | .02122423 |
| 4 | 3s | 8.377749 | -.02208352 |
| 5 | 4s | 10.730663 | .01002886 |
| 6 | 5s | 31.268897 | .00064121 |
| 7 | 3s | 42.364895 | -.00016249 |
| 8 | 5s | 1.652801 | -.00122506 |
| 9 | 4s | 1.432720 | .00104550 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119999 | < R2 > | .019354 | < 1/R > | 12.605769 | < 1/R**2 > | 320.770391 |
Total Energy= -231.12458198 a.u.
Kinetic Energy= 231.13046884 a.u.
Potential Energy= -462.25505082 a.u.
Virial Ratio = -1.99997453