(1s 2 2s 2 2p 1 4s 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 10.531392 | .11383867 |
| 2 | 2s | 2.571614 | -1.58044298 |
| 3 | 3s | 2.649604 | 3.17799792 |
| 4 | 4s | 2.130133 | -2.19737060 |
| 5 | 5s | 8.913722 | -.03264954 |
| 6 | 4s | 11.794461 | -.02795167 |
| 7 | 5s | 17.666759 | .00222754 |
| 8 | 5s | 1.768050 | .01346900 |
| 9 | 4s | 44.132374 | -.00008864 |
| ORB.ENERGY,a.u. | -2.336500 | ||
| NORM | 1.000001 | < R > | 2.582641 | < R2 > | 7.490921 | < 1/R > | .557840 | < 1/R**2 > | 2.484748 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.167212 | 1.08626824 |
| 2 | 3p | 6.408792 | -.10607559 |
| 3 | 2p | 12.350175 | .01862438 |
| 4 | 5p | 14.406370 | .00382238 |
| 5 | 4p | 27.402644 | -.00043422 |
| 6 | 5p | 4.966717 | .00630237 |
| 7 | 5p | 88.572008 | -.00000669 |
| 8 | 3p | 2.759098 | -.00184612 |
| ORB.ENERGY,a.u. | -11.638000 | ||
| NORM | 1.000000 | < R > | .472834 | < R2 > | .271113 | < 1/R > | 2.679465 | < 1/R**2 > | 9.745298 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.220984 | .36224268 |
| 2 | 2s | 4.897012 | -.78966683 |
| 3 | 3s | 6.752086 | -.28160990 |
| 4 | 4s | 24.975943 | .00139628 |
| 5 | 5s | 13.562899 | -.01507219 |
| 6 | 5s | 2.217729 | .00244492 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539040 | < R2 > | .340321 | < 1/R > | 2.710758 | < 1/R**2 > | 29.752615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175962 | .92419378 |
| 2 | 1s | 18.834096 | .07685397 |
| 3 | 2s | 11.064487 | .01772678 |
| 4 | 3s | 13.829101 | -.01632219 |
| 5 | 4s | 69.956531 | -.00005165 |
| 6 | 5s | 30.238992 | .00107409 |
| 7 | 5s | 5.412120 | .00017873 |
| 8 | 3s | 1.344469 | -.00016680 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119331 | < R2 > | .019089 | < 1/R > | 12.650163 | < 1/R**2 > | 322.513945 |
Total Energy= -206.09876609 a.u.
Kinetic Energy= 206.10333247 a.u.
Potential Energy= -412.20209857 a.u.
Virial Ratio = -1.99997784