(1s 2 2s 2 2p 3 5d 1 ) 5 D Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | 5d- electron | |
| 1 | 3d | 1.734530 | 1.04164917 |
| 2 | 4d | 1.262586 | -4.14166048 |
| 3 | 5d | 1.216948 | 3.82853238 |
| 4 | 3d | 4.116131 | .06981183 |
| 5 | 5d | 6.221111 | -.01449419 |
| 6 | 4d | 17.434162 | .00020585 |
| 7 | 5d | .976645 | -.02641314 |
| 8 | 4d | 42.055834 | .00001731 |
| ORB.ENERGY,a.u. | -.750450 | ||
| NORM | 1.000004 | < R > | 5.486079 | < R2 > | 34.226397 | < 1/R > | .257564 | < 1/R**2 > | .144365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.773780 | 1.38343772 |
| 2 | 3p | 6.167896 | -.48284488 |
| 3 | 4p | 7.616033 | .09377978 |
| 4 | 5p | 22.136824 | -.00264216 |
| 5 | 4p | 3.103734 | .01319930 |
| 6 | 4p | 28.975219 | -.00128768 |
| 7 | 5p | 3.058427 | -.00809132 |
| 8 | 3p | 1.848463 | .00157312 |
| 9 | 3p | 40.969259 | -.00010617 |
| ORB.ENERGY,a.u. | -8.622500 | ||
| NORM | 1.000000 | < R > | .510769 | < R2 > | .319301 | < 1/R > | 2.507731 | < 1/R**2 > | 8.644496 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.491017 | .37807826 |
| 2 | 2s | 5.345676 | -.84571173 |
| 3 | 3s | 5.035875 | -.28275857 |
| 4 | 4s | 21.303205 | .00231414 |
| 5 | 3s | 12.592996 | .01609151 |
| 6 | 5s | 5.161219 | -.01609334 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569269 | < R2 > | .381692 | < 1/R > | 2.558907 | < 1/R**2 > | 26.728405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169145 | .91994215 |
| 2 | 1s | 18.714271 | .07895148 |
| 3 | 2s | 10.853822 | .01802098 |
| 4 | 3s | 15.237523 | -.01488504 |
| 5 | 4s | 23.768435 | .00309765 |
| 6 | 5s | 41.914216 | .00013737 |
| 7 | 5s | 9.325753 | .00078394 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119821 | < R2 > | .019282 | < 1/R > | 12.617427 | < 1/R**2 > | 321.227057 |
Total Energy= -223.86324997 a.u.
Kinetic Energy= 223.86900617 a.u.
Potential Energy= -447.73225614 a.u.
Virial Ratio = -1.99997429