(1s 2 2s 2 2p 1 3d 1 ) 1 F Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 2.719195 | .95549131 |
| 2 | 3d | 7.018417 | .01547655 |
| 3 | 4d | 2.408044 | .05252401 |
| 4 | 5d | 19.595587 | -.00017859 |
| 5 | 5d | 2.375438 | -.01241578 |
| ORB.ENERGY,a.u. | -3.571200 | ||
| NORM | 1.000000 | < R > | 1.295886 | < R2 > | 1.925679 | < 1/R > | .905426 | < 1/R**2 > | .993417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.214631 | 1.09620702 |
| 2 | 3p | 6.715389 | -.11815579 |
| 3 | 2p | 12.816577 | .01456422 |
| 4 | 5p | 11.715759 | .00899628 |
| 5 | 4p | 2.144662 | -.00663552 |
| 6 | 5p | 17.706142 | .00340266 |
| 7 | 4p | 1.861203 | .00872750 |
| 8 | 4p | 1.654886 | -.00348770 |
| ORB.ENERGY,a.u. | -11.076000 | ||
| NORM | 1.000000 | < R > | .469033 | < R2 > | .266269 | < 1/R > | 2.696690 | < 1/R**2 > | 9.856237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.349489 | .35502473 |
| 2 | 2s | 4.722206 | -.80018364 |
| 3 | 3s | 7.027635 | -.27760273 |
| 4 | 4s | 24.615458 | .00138858 |
| 5 | 5s | 13.723017 | -.01312323 |
| 6 | 5s | 5.361413 | .01500935 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .540767 | < R2 > | .342789 | < 1/R > | 2.702432 | < 1/R**2 > | 29.584143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172177 | .92270563 |
| 2 | 1s | 18.723853 | .07855070 |
| 3 | 2s | 10.580050 | .01826550 |
| 4 | 3s | 13.359551 | -.01688523 |
| 5 | 4s | 64.160648 | -.00007309 |
| 6 | 5s | 30.121861 | .00084016 |
| 7 | 4s | 3.712566 | .00002440 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119331 | < R2 > | .019089 | < 1/R > | 12.650293 | < 1/R**2 > | 322.521810 |
Total Energy= -207.45376470 a.u.
Kinetic Energy= 207.34090372 a.u.
Potential Energy= -414.79466842 a.u.
Virial Ratio = -2.00054433