(1s 2 2s 2 2p 1 5p 1 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 3.750144 | .30574749 |
| 2 | 3p | 1.909799 | -3.38639014 |
| 3 | 4p | 1.672790 | 8.91635881 |
| 4 | 5p | 1.669521 | -6.55682945 |
| 5 | 2p | 10.993824 | .00675915 |
| 6 | 5p | 5.460547 | .03658237 |
| 7 | 5p | 18.396128 | .00096159 |
| 8 | 4p | 30.593148 | .00006969 |
| 9 | 4p | .535494 | -.00032407 |
| ORB.ENERGY,a.u. | -1.370400 | ||
| NORM | .999998 | < R > | 4.254536 | < R2 > | 20.357745 | < 1/R > | .318194 | < 1/R**2 > | .254683 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.300579 | 1.19167951 |
| 2 | 3p | 1.190731 | -.55080695 |
| 3 | 3p | 7.210527 | -.19493057 |
| 4 | 4p | 1.920363 | .21136021 |
| 5 | 5p | 2.084434 | .23367173 |
| 6 | 5p | 10.947836 | .01524516 |
| 7 | 4p | 21.000786 | -.00304180 |
| 8 | 5p | 1.340463 | .12231661 |
| 9 | 3p | 25.694074 | -.00068477 |
| ORB.ENERGY,a.u. | -11.801000 | ||
| NORM | 1.000000 | < R > | .479668 | < R2 > | .336960 | < 1/R > | 2.704929 | < 1/R**2 > | 9.927457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.327636 | .35721451 |
| 2 | 2s | 4.748439 | -.80184354 |
| 3 | 3s | 6.995226 | -.27901359 |
| 4 | 4s | 24.390090 | .00152906 |
| 5 | 5s | 13.678617 | -.01270011 |
| 6 | 5s | 5.275765 | .01806157 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538827 | < R2 > | .340000 | < 1/R > | 2.711503 | < 1/R**2 > | 29.764898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172464 | .92310450 |
| 2 | 1s | 18.753896 | .07811415 |
| 3 | 2s | 10.684781 | .01815917 |
| 4 | 3s | 13.461962 | -.01674398 |
| 5 | 4s | 64.539880 | -.00007106 |
| 6 | 5s | 30.112035 | .00086439 |
| 7 | 4s | 3.579749 | .00001854 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119337 | < R2 > | .019091 | < 1/R > | 12.649778 | < 1/R**2 > | 322.500195 |
Total Energy= -205.14876940 a.u.
Kinetic Energy= 205.13970125 a.u.
Potential Energy= -410.28847064 a.u.
Virial Ratio = -2.00004420