(1s 2 2s 2 2p 4 4s 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 11.322295 | .06652173 |
| 2 | 2s | 2.067336 | -1.21922198 |
| 3 | 3s | 2.182175 | 2.40527700 |
| 4 | 4s | 1.433362 | -1.63091040 |
| 5 | 5s | 3.244307 | -.22723023 |
| 6 | 4s | 10.481947 | -.02405144 |
| 7 | 5s | 21.366660 | -.00222710 |
| 8 | 5s | 1.348115 | .09606645 |
| 9 | 4s | 32.099138 | -.00059936 |
| 10 | 5s | 97.315014 | -.00001367 |
| ORB.ENERGY,a.u. | -1.067900 | ||
| NORM | 1.000001 | < R > | 3.539130 | < R2 > | 14.063329 | < 1/R > | .388735 | < 1/R**2 > | 1.115848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.163784 | 1.23451015 |
| 2 | 3p | 4.911722 | -.30692768 |
| 3 | 2p | 9.986215 | .06827537 |
| 4 | 4p | 11.629045 | .01447421 |
| 5 | 5p | 2.691065 | .00035103 |
| 6 | 5p | 29.382743 | -.00016174 |
| ORB.ENERGY,a.u. | -6.534000 | ||
| NORM | 1.000000 | < R > | .537753 | < R2 > | .356871 | < 1/R > | 2.404599 | < 1/R**2 > | 8.030696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.553381 | .31836353 |
| 2 | 2s | 4.397989 | -.76794241 |
| 3 | 3s | 7.125429 | -.23579264 |
| 4 | 4s | 5.306146 | -.06707700 |
| 5 | 5s | 14.978598 | -.01068960 |
| 6 | 5s | 1.658122 | -.01603471 |
| 7 | 3s | 3.753845 | .00676245 |
| 8 | 3s | 48.511686 | -.00011544 |
| 9 | 4s | 81.296231 | .00002703 |
| 10 | 4s | 1.513030 | .01032193 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .584356 | < R2 > | .403876 | < 1/R > | 2.490896 | < 1/R**2 > | 25.419168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.251214 | .92480901 |
| 2 | 1s | 18.457514 | .07249694 |
| 3 | 2s | 7.609978 | .01813807 |
| 4 | 3s | 9.402242 | -.01722409 |
| 5 | 4s | 11.551725 | .00879535 |
| 6 | 5s | 31.491426 | .00068739 |
| 7 | 3s | 42.514926 | -.00014997 |
| 8 | 5s | 1.699884 | .00201168 |
| 9 | 4s | 1.508028 | -.00170388 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019359 | < 1/R > | 12.605205 | < 1/R**2 > | 320.748915 |
Total Energy= -231.12421894 a.u.
Kinetic Energy= 231.11416075 a.u.
Potential Energy= -462.23837969 a.u.
Virial Ratio = -2.00004352