(1s 2 2s 2 2p 5 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 3.580617 | .52818554 |
| 2 | 2p | 5.737122 | .62230745 |
| 3 | 3p | 7.788993 | -.15726881 |
| 4 | 4p | 10.583678 | .02373281 |
| 5 | 5p | 5.718962 | .02157713 |
| 6 | 5p | 34.623510 | -.00012700 |
| ORB.ENERGY,a.u. | -5.595500 | ||
| NORM | 1.000000 | < R > | .565141 | < R2 > | .397569 | < 1/R > | 2.310506 | < 1/R**2 > | 7.491562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.605847 | .35130191 |
| 2 | 2s | 5.155243 | -.83483647 |
| 3 | 3s | 4.251759 | -.31321062 |
| 4 | 4s | 20.883196 | .00220679 |
| 5 | 3s | 13.038372 | .01230823 |
| 6 | 5s | 4.616986 | .01543040 |
| 7 | 4s | 2.875811 | -.00058496 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .601832 | < R2 > | .429903 | < 1/R > | 2.417833 | < 1/R**2 > | 24.048873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.226868 | .92493295 |
| 2 | 1s | 18.809611 | .07152547 |
| 3 | 2s | 9.721235 | .01903800 |
| 4 | 3s | 15.317020 | -.01124623 |
| 5 | 4s | 23.005298 | .00248268 |
| 6 | 5s | 37.411149 | .00031061 |
| 7 | 4s | 6.885483 | .00085164 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120145 | < R2 > | .019412 | < 1/R > | 12.596448 | < 1/R**2 > | 320.409555 |
Total Energy= -235.64284616 a.u.
Kinetic Energy= 235.64283498 a.u.
Potential Energy= -471.28568114 a.u.
Virial Ratio = -2.00000005