(1s 2 2s 2 2p 4 5s 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 11.131146 | .05027514 |
| 2 | 2s | 3.583608 | -.25161571 |
| 3 | 3s | 1.822612 | 1.25336369 |
| 4 | 4s | 1.306089 | -3.27723157 |
| 5 | 5s | 1.156593 | 2.83196761 |
| 6 | 5s | 10.795156 | -.01440886 |
| 7 | 4s | 13.908622 | -.00849215 |
| 8 | 5s | 38.155444 | -.00022416 |
| 9 | 3s | .756605 | .02838856 |
| 10 | 4s | 57.157654 | -.00005177 |
| ORB.ENERGY,a.u. | -.645400 | ||
| NORM | .999998 | < R > | 5.834388 | < R2 > | 38.099957 | < 1/R > | .243772 | < 1/R**2 > | .596412 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.172515 | 1.23409952 |
| 2 | 3p | 4.931941 | -.30590999 |
| 3 | 2p | 9.996067 | .06759610 |
| 4 | 4p | 11.558533 | .01458844 |
| 5 | 5p | 2.827261 | .00017286 |
| 6 | 5p | 29.993885 | -.00015512 |
| ORB.ENERGY,a.u. | -6.691200 | ||
| NORM | 1.000000 | < R > | .537344 | < R2 > | .356284 | < 1/R > | 2.406117 | < 1/R**2 > | 8.039664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.528214 | .31888626 |
| 2 | 2s | 4.331267 | -.80921998 |
| 3 | 3s | 7.193998 | -.21328585 |
| 4 | 4s | 5.659645 | -.03644955 |
| 5 | 5s | 14.814440 | -.01106622 |
| 6 | 5s | 1.161406 | -.04584493 |
| 7 | 4s | 1.023414 | .08104015 |
| 8 | 3s | 48.374174 | -.00011034 |
| 9 | 3s | .862155 | -.03701308 |
| 10 | 5s | 107.692040 | .00001584 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585356 | < R2 > | .405181 | < 1/R > | 2.486739 | < 1/R**2 > | 25.342184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252413 | .92392620 |
| 2 | 1s | 18.382524 | .07336748 |
| 3 | 2s | 6.956748 | .02058735 |
| 4 | 3s | 8.649275 | -.02116916 |
| 5 | 4s | 11.081771 | .01000943 |
| 6 | 5s | 30.675177 | .00081256 |
| 7 | 3s | 45.406381 | -.00012846 |
| 8 | 5s | 1.848714 | -.00002606 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120000 | < R2 > | .019354 | < 1/R > | 12.605718 | < 1/R**2 > | 320.769024 |
Total Energy= -230.68975612 a.u.
Kinetic Energy= 230.69232716 a.u.
Potential Energy= -461.38208327 a.u.
Virial Ratio = -1.99998886