(1s 2 2s 2 2p 2 3d 1 ) 4 F Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 2.476128 | 1.13357884 |
| 2 | 3d | 5.623821 | .04828662 |
| 3 | 4d | 2.919289 | -.16467763 |
| 4 | 5d | 18.036704 | -.00024624 |
| 5 | 4d | 50.353402 | .00000342 |
| ORB.ENERGY,a.u. | -2.901300 | ||
| NORM | 1.000000 | < R > | 1.359090 | < R2 > | 2.139697 | < 1/R > | .874849 | < 1/R**2 > | .943178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.743475 | 1.21476726 |
| 2 | 3p | 5.613627 | -.24441547 |
| 3 | 2p | 12.168136 | .02400899 |
| 4 | 4p | 13.300322 | .00587590 |
| 5 | 5p | 27.723640 | -.00031615 |
| 6 | 5p | 3.769747 | .00290767 |
| ORB.ENERGY,a.u. | -9.611700 | ||
| NORM | 1.000000 | < R > | .494791 | < R2 > | .298954 | < 1/R > | 2.579584 | < 1/R**2 > | 9.103701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.505517 | .38732965 |
| 2 | 2s | 5.416195 | -.83548033 |
| 3 | 3s | 5.595481 | -.27311361 |
| 4 | 4s | 21.050413 | .00251047 |
| 5 | 3s | 12.793842 | .01558727 |
| 6 | 5s | 5.465557 | -.03947006 |
| 7 | 4s | 2.754022 | -.00026143 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555638 | < R2 > | .362904 | < 1/R > | 2.626056 | < 1/R**2 > | 28.052500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159969 | .91996269 |
| 2 | 1s | 18.806645 | .07950917 |
| 3 | 2s | 11.322434 | .01917265 |
| 4 | 3s | 14.398397 | -.01548705 |
| 5 | 5s | 30.714704 | .00111304 |
| 6 | 4s | 73.206919 | -.00004085 |
| 7 | 5s | 9.652259 | .00058661 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119586 | < R2 > | .019189 | < 1/R > | 12.633058 | < 1/R**2 > | 321.841936 |
Total Energy= -217.07425406 a.u.
Kinetic Energy= 217.13198718 a.u.
Potential Energy= -434.20624124 a.u.
Virial Ratio = -1.99973411