(1s 2 2s 2 2p 2 4d 1 ) 4 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 2.185628 | 1.06998570 |
| 2 | 4d | 1.743882 | -1.60370753 |
| 3 | 3d | 4.784082 | .07896676 |
| 4 | 4d | 5.748273 | -.02175119 |
| 5 | 5d | 1.382814 | .03620386 |
| 6 | 5d | 17.971684 | -.00048368 |
| 7 | 4d | 28.681772 | -.00004955 |
| 8 | 4d | 1.137215 | -.01993880 |
| ORB.ENERGY,a.u. | -1.595400 | ||
| NORM | 1.000001 | < R > | 2.850291 | < R2 > | 9.324877 | < 1/R > | .470312 | < 1/R**2 > | .373318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.851938 | 1.19674315 |
| 2 | 3p | 5.894848 | -.21577402 |
| 3 | 2p | 12.950955 | .01700420 |
| 4 | 4p | 14.084113 | .00366596 |
| 5 | 5p | 27.985151 | -.00033626 |
| 6 | 5p | 2.224434 | -.00392973 |
| 7 | 4p | 1.919944 | .00365244 |
| ORB.ENERGY,a.u. | -9.978800 | ||
| NORM | 1.000000 | < R > | .491520 | < R2 > | .294287 | < 1/R > | 2.591589 | < 1/R**2 > | 9.174139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.518105 | .38757485 |
| 2 | 2s | 5.410902 | -.83539102 |
| 3 | 3s | 5.629840 | -.27298590 |
| 4 | 4s | 21.028807 | .00250150 |
| 5 | 3s | 12.828935 | .01539175 |
| 6 | 5s | 5.592768 | -.03752293 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554062 | < R2 > | .360520 | < 1/R > | 2.632699 | < 1/R**2 > | 28.180274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159672 | .91996230 |
| 2 | 1s | 18.806186 | .07951301 |
| 3 | 2s | 11.308489 | .01918332 |
| 4 | 3s | 14.397587 | -.01548786 |
| 5 | 5s | 30.694302 | .00111341 |
| 6 | 4s | 73.283493 | -.00004104 |
| 7 | 5s | 9.706928 | .00057702 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119592 | < R2 > | .019191 | < 1/R > | 12.632656 | < 1/R**2 > | 321.825408 |
Total Energy= -215.81864303 a.u.
Kinetic Energy= 215.82590431 a.u.
Potential Energy= -431.64454734 a.u.
Virial Ratio = -1.99996636