(1s 2 2s 2 2p 4 ) 1 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 4.596995 | 1.43439515 |
| 2 | 3p | 6.181478 | -.52926621 |
| 3 | 4p | 7.937949 | .08004533 |
| 4 | 5p | 4.108486 | .02943096 |
| 5 | 5p | 26.438642 | -.00147738 |
| 6 | 4p | 37.427989 | -.00042150 |
| 7 | 4p | 2.769690 | -.00863203 |
| 8 | 3p | 1.998043 | .00320974 |
| 9 | 3p | 62.890719 | -.00001873 |
| ORB.ENERGY,a.u. | -6.454700 | ||
| NORM | 1.000000 | < R > | .541873 | < R2 > | .363134 | < 1/R > | 2.392343 | < 1/R**2 > | 7.969815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.486114 | .36812534 |
| 2 | 2s | 5.139625 | -.91378892 |
| 3 | 3s | 4.521378 | -.24178587 |
| 4 | 4s | 8.357056 | .01547116 |
| 5 | 3s | 12.758591 | .02152693 |
| 6 | 5s | 28.262775 | .00055647 |
| 7 | 2s | 64.334247 | .00000957 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .584512 | < R2 > | .403796 | < 1/R > | 2.490321 | < 1/R**2 > | 25.410047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.160343 | .91956993 |
| 2 | 1s | 18.637807 | .07973413 |
| 3 | 2s | 10.050693 | .01833293 |
| 4 | 3s | 15.024300 | -.01508445 |
| 5 | 4s | 23.224250 | .00327241 |
| 6 | 5s | 42.708090 | .00016062 |
| 7 | 5s | 8.002393 | .00061284 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119989 | < R2 > | .019349 | < 1/R > | 12.606478 | < 1/R**2 > | 320.799379 |
Total Energy= -230.04489638 a.u.
Kinetic Energy= 229.57264820 a.u.
Potential Energy= -459.61754458 a.u.
Virial Ratio = -2.00205708