(1s 2 2s 2 2p 2 5s 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 10.403420 | .06936772 |
| 2 | 2s | 3.422930 | -.48198870 |
| 3 | 3s | 1.998766 | 2.50341063 |
| 4 | 4s | 1.662764 | -5.27784290 |
| 5 | 5s | 1.513190 | 3.79432719 |
| 6 | 5s | 13.109813 | -.00349590 |
| 7 | 4s | 25.582125 | .00028495 |
| ORB.ENERGY,a.u. | -1.140200 | ||
| NORM | 1.000004 | < R > | 4.619322 | < R2 > | 23.877069 | < 1/R > | .308963 | < 1/R**2 > | .909643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.837659 | 1.17546309 |
| 2 | 3p | 5.769497 | -.19890179 |
| 3 | 2p | 12.820203 | .02026767 |
| 4 | 4p | 15.334038 | .00752160 |
| 5 | 5p | 3.183488 | .00033880 |
| 6 | 5p | 22.216961 | -.00168120 |
| 7 | 4p | 60.938769 | .00003014 |
| ORB.ENERGY,a.u. | -10.160000 | ||
| NORM | 1.000000 | < R > | .490706 | < R2 > | .293208 | < 1/R > | 2.594757 | < 1/R**2 > | 9.192663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.298977 | .40079787 |
| 2 | 2s | 5.538272 | -.85775096 |
| 3 | 3s | 5.562885 | -.27135470 |
| 4 | 4s | 21.866462 | .00301738 |
| 5 | 3s | 11.248779 | .02848045 |
| 6 | 5s | 5.913697 | -.04356558 |
| 7 | 4s | 1.535140 | -.02080122 |
| 8 | 3s | .769456 | .04046327 |
| 9 | 5s | .956239 | -.02298964 |
| 10 | 5s | 60.970507 | .00002765 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553082 | < R2 > | .359458 | < 1/R > | 2.637827 | < 1/R**2 > | 28.284435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158812 | .91998812 |
| 2 | 1s | 18.809914 | .07950101 |
| 3 | 2s | 11.299392 | .01919618 |
| 4 | 3s | 14.382845 | -.01548642 |
| 5 | 5s | 30.717699 | .00107966 |
| 6 | 4s | 72.023195 | -.00004329 |
| 7 | 5s | 9.746753 | .00066549 |
| 8 | 3s | 1.225739 | -.00327597 |
| 9 | 4s | 1.662131 | .00322353 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119601 | < R2 > | .019198 | < 1/R > | 12.632035 | < 1/R**2 > | 321.800014 |
Total Energy= -215.37622492 a.u.
Kinetic Energy= 215.36951457 a.u.
Potential Energy= -430.74573950 a.u.
Virial Ratio = -2.00003116