(1s 2 2s 2 2p 5 5d 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | .862109 | 2.69900158 |
| 2 | 4d | .828810 | -6.75333947 |
| 3 | 5d | .800249 | 4.72764977 |
| 4 | 3d | 1.858838 | .01805320 |
| 5 | 5d | 3.266322 | -.00331160 |
| 6 | 4d | 7.318928 | .00296447 |
| 7 | 5d | 14.139153 | .00008064 |
| 8 | 3d | 10.526413 | .00054072 |
| ORB.ENERGY,a.u. | -.321620 | ||
| NORM | 1.000003 | < R > | 8.573871 | < R2 > | 83.434270 | < 1/R > | .161841 | < 1/R**2 > | .053461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.844051 | 1.29540871 |
| 2 | 3p | 4.585617 | -.38456248 |
| 3 | 2p | 9.626919 | .08482589 |
| 4 | 4p | 11.179883 | .02085252 |
| 5 | 5p | 23.858088 | .00043362 |
| 6 | 5p | 3.071721 | .00851759 |
| 7 | 4p | 42.697785 | .00007379 |
| 8 | 4p | 2.877023 | -.01133656 |
| ORB.ENERGY,a.u. | -5.392600 | ||
| NORM | 1.000000 | < R > | .565122 | < R2 > | .397543 | < 1/R > | 2.310567 | < 1/R**2 > | 7.491903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.647019 | .34920393 |
| 2 | 2s | 5.135297 | -.82823856 |
| 3 | 3s | 4.361929 | -.30138066 |
| 4 | 4s | 16.797619 | .00521239 |
| 5 | 3s | 15.437293 | .00651498 |
| 6 | 5s | 33.974387 | .00028923 |
| 7 | 5s | 3.535535 | -.00078832 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .601968 | < R2 > | .430133 | < 1/R > | 2.417385 | < 1/R**2 > | 24.041040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91349772 |
| 2 | 1s | 18.069721 | .08416732 |
| 3 | 2s | 6.984150 | .01940311 |
| 4 | 3s | 8.836210 | -.02059165 |
| 5 | 4s | 11.207520 | .01068387 |
| 6 | 5s | 31.020496 | .00096562 |
| 7 | 4s | 73.159672 | -.00004087 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120145 | < R2 > | .019412 | < 1/R > | 12.596447 | < 1/R**2 > | 320.409498 |
Total Energy= -235.97167046 a.u.
Kinetic Energy= 235.96449006 a.u.
Potential Energy= -471.93616051 a.u.
Virial Ratio = -2.00003043