(1s 2 2s 2 2p 3 3d 1 ) 5 D Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 2.145963 | 1.16299880 |
| 2 | 3d | 5.337880 | .04754579 |
| 3 | 4d | 2.626295 | -.19084067 |
| 4 | 5d | 18.295616 | -.00004039 |
| 5 | 5d | 1.685290 | .00202262 |
| 6 | 4d | 34.395763 | .00001987 |
| ORB.ENERGY,a.u. | -2.127800 | ||
| NORM | 1.000000 | < R > | 1.579868 | < R2 > | 2.898147 | < 1/R > | .755903 | < 1/R**2 > | .709711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.769499 | 1.38127354 |
| 2 | 3p | 6.244702 | -.47628573 |
| 3 | 4p | 7.905563 | .08826645 |
| 4 | 4p | 20.732497 | -.00240390 |
| 5 | 5p | 3.905413 | .01546118 |
| 6 | 3p | 26.540314 | -.00040664 |
| 7 | 4p | 2.799322 | -.00799241 |
| 8 | 3p | 2.059741 | .00330164 |
| ORB.ENERGY,a.u. | -8.117900 | ||
| NORM | 1.000000 | < R > | .513541 | < R2 > | .323491 | < 1/R > | 2.498641 | < 1/R**2 > | 8.593782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.491117 | .37724275 |
| 2 | 2s | 5.341609 | -.84567079 |
| 3 | 3s | 5.002862 | -.28267035 |
| 4 | 4s | 21.055665 | .00231614 |
| 5 | 3s | 12.736522 | .01561435 |
| 6 | 5s | 4.911384 | -.01700088 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .570806 | < R2 > | .384121 | < 1/R > | 2.552986 | < 1/R**2 > | 26.618245 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169591 | .91993368 |
| 2 | 1s | 18.712986 | .07895519 |
| 3 | 2s | 10.862381 | .01801429 |
| 4 | 3s | 15.234614 | -.01488571 |
| 5 | 4s | 23.775571 | .00309780 |
| 6 | 5s | 41.797083 | .00013741 |
| 7 | 5s | 9.283600 | .00078779 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119815 | < R2 > | .019280 | < 1/R > | 12.617857 | < 1/R**2 > | 321.244535 |
Total Energy= -225.21423666 a.u.
Kinetic Energy= 225.24664273 a.u.
Potential Energy= -450.46087939 a.u.
Virial Ratio = -1.99985613