(1s 2 2s 2 2p 2 4s 1 ) 2 P Al 6+
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 | 10.638324 | .09597395 |
| 2 | 2s | 2.591326 | -1.26489591 |
| 3 | 3s | 2.376065 | 3.06782569 |
| 4 | 4s | 1.944564 | -2.23729813 |
| 5 | 5s | 3.375652 | -.21727104 |
| 6 | 4s | 10.725748 | -.01222978 |
| 7 | 5s | 29.179445 | .00019923 |
| 8 | 5s | 1.567784 | -.00758675 |
| ORB.ENERGY,a.u. | -1.857100 | ||
| NORM | .999999 | < R > | 2.844966 | < R2 > | 9.083305 | < 1/R > | .494130 | < 1/R**2 > | 1.860997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.829958 | 1.17410052 |
| 2 | 3p | 5.751432 | -.19820046 |
| 3 | 2p | 12.796599 | .02076136 |
| 4 | 4p | 15.432037 | .00810480 |
| 5 | 5p | 22.124083 | -.00189074 |
| 6 | 5p | 2.884955 | .00046132 |
| 7 | 4p | 60.472935 | .00003372 |
| ORB.ENERGY,a.u. | -9.986100 | ||
| NORM | 1.000000 | < R > | .491150 | < R2 > | .293772 | < 1/R > | 2.592748 | < 1/R**2 > | 9.179866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.298389 | .40113648 |
| 2 | 2s | 5.538851 | -.85831044 |
| 3 | 3s | 5.577611 | -.27122875 |
| 4 | 4s | 21.882513 | .00304589 |
| 5 | 3s | 11.210509 | .02888297 |
| 6 | 5s | 5.910368 | -.04516475 |
| 7 | 4s | 1.709624 | -.02713437 |
| 8 | 3s | 1.442200 | .02172256 |
| 9 | 5s | 60.990966 | .00002885 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .552681 | < R2 > | .358865 | < 1/R > | 2.639823 | < 1/R**2 > | 28.324517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.246088 | .90981879 |
| 2 | 1s | 18.379053 | .08247809 |
| 3 | 2s | 12.780238 | .01659267 |
| 4 | 3s | 6.241761 | -.02951499 |
| 5 | 5s | 12.254954 | .01359133 |
| 6 | 3s | 36.169132 | -.00043781 |
| 7 | 5s | 7.928000 | .01766468 |
| 8 | 4s | 1.511139 | .00195869 |
| 9 | 3s | 1.191850 | -.00143948 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119609 | < R2 > | .019200 | < 1/R > | 12.631520 | < 1/R**2 > | 321.779101 |
Total Energy= -216.09966087 a.u.
Kinetic Energy= 216.08521157 a.u.
Potential Energy= -432.18487244 a.u.
Virial Ratio = -2.00006687