(1s 2 2s 2 2p 4 4p 1 ) 4 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 5.934359 | .17157093 |
| 2 | 3p | 1.166220 | 1.68900155 |
| 3 | 4p | 2.231369 | -1.28366059 |
| 4 | 5p | 4.098911 | -.15815352 |
| 5 | 3p | 10.345638 | -.00646792 |
| 6 | 4p | 1.087783 | -.36372535 |
| 7 | 5p | 1.406041 | .41963567 |
| 8 | 3p | .619434 | .03100255 |
| 9 | 4p | 26.550415 | -.00012839 |
| 10 | 2p | .389875 | -.00903362 |
| ORB.ENERGY,a.u. | -.964400 | ||
| NORM | .999999 | < R > | 3.721940 | < R2 > | 15.662407 | < 1/R > | .375890 | < 1/R**2 > | .419826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.160632 | 1.24253369 |
| 2 | 3p | 4.909685 | -.31440732 |
| 3 | 2p | 10.012092 | .06728326 |
| 4 | 4p | 11.624333 | .01435514 |
| 5 | 5p | 29.304740 | -.00016163 |
| 6 | 5p | 1.670125 | -.00136673 |
| 7 | 4p | 1.690294 | .00124223 |
| ORB.ENERGY,a.u. | -6.559400 | ||
| NORM | 1.000000 | < R > | .537682 | < R2 > | .356815 | < 1/R > | 2.405071 | < 1/R**2 > | 8.033952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.576575 | .36265342 |
| 2 | 2s | 5.236043 | -.83611241 |
| 3 | 3s | 4.647041 | -.29490915 |
| 4 | 4s | 15.625849 | .00788338 |
| 5 | 3s | 16.313265 | .00635773 |
| 6 | 5s | 31.337804 | .00049751 |
| 7 | 5s | 4.357839 | -.00446994 |
| 8 | 4s | 1.922094 | .00031964 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585700 | < R2 > | .405552 | < 1/R > | 2.485144 | < 1/R**2 > | 25.311526 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252700 | .92404167 |
| 2 | 1s | 18.434673 | .07295649 |
| 3 | 2s | 7.220756 | .02020240 |
| 4 | 3s | 8.906214 | -.02034612 |
| 5 | 4s | 11.216278 | .00986605 |
| 6 | 5s | 30.786262 | .00084777 |
| 7 | 4s | 66.981505 | -.00005452 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019357 | < 1/R > | 12.605101 | < 1/R**2 > | 320.745126 |
Total Energy= -231.00558830 a.u.
Kinetic Energy= 231.01164546 a.u.
Potential Energy= -462.01723376 a.u.
Virial Ratio = -1.99997378