(1s 2 2s 2 2p 4 4d 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | 1.529143 | 1.13237710 |
| 2 | 4d | 1.248391 | -1.65753936 |
| 3 | 3d | 5.288005 | .03124879 |
| 4 | 4d | 3.816229 | .03335026 |
| 5 | 5d | 15.673761 | -.00013634 |
| 6 | 5d | 1.055168 | .01276002 |
| ORB.ENERGY,a.u. | -.809680 | ||
| NORM | 1.000001 | < R > | 3.999294 | < R2 > | 18.411096 | < 1/R > | .338571 | < 1/R**2 > | .197285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.149395 | 1.23883673 |
| 2 | 3p | 4.891128 | -.31358758 |
| 3 | 2p | 9.925921 | .07016411 |
| 4 | 4p | 11.458621 | .01516142 |
| 5 | 5p | 2.593194 | .00485068 |
| 6 | 5p | 30.743294 | -.00014680 |
| 7 | 4p | 2.160185 | -.00504992 |
| ORB.ENERGY,a.u. | -6.556400 | ||
| NORM | 1.000000 | < R > | .537721 | < R2 > | .356916 | < 1/R > | 2.405188 | < 1/R**2 > | 8.035398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.566175 | .36333457 |
| 2 | 2s | 5.242119 | -.83767912 |
| 3 | 3s | 4.629404 | -.29575636 |
| 4 | 4s | 15.635152 | .00907549 |
| 5 | 3s | 17.070350 | .00553665 |
| 6 | 5s | 30.997588 | .00053770 |
| 7 | 5s | 4.175199 | -.00284659 |
| 8 | 4s | 2.317342 | .00025397 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585518 | < R2 > | .405311 | < 1/R > | 2.486082 | < 1/R**2 > | 25.329879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92403094 |
| 2 | 1s | 18.422540 | .07306657 |
| 3 | 2s | 7.094822 | .02045969 |
| 4 | 3s | 8.767215 | -.02083648 |
| 5 | 4s | 11.104077 | .00992667 |
| 6 | 5s | 30.701848 | .00085816 |
| 7 | 4s | 67.598072 | -.00005433 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119999 | < R2 > | .019353 | < 1/R > | 12.605812 | < 1/R**2 > | 320.773458 |
Total Energy= -230.86191137 a.u.
Kinetic Energy= 230.85728704 a.u.
Potential Energy= -461.71919841 a.u.
Virial Ratio = -2.00002003