(1s 2 2s 2 2p 5 5p 1 ) 1 S Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | 2.523505 | .15530197 |
| 2 | 3p | 1.214987 | -1.59906257 |
| 3 | 4p | .992390 | 3.66443010 |
| 4 | 5p | .860216 | -2.84360484 |
| 5 | 2p | 7.778229 | .01959850 |
| 6 | 5p | 11.314852 | .00139524 |
| 7 | 4p | 28.104886 | -.00006319 |
| ORB.ENERGY,a.u. | -.373290 | ||
| NORM | 1.000001 | < R > | 7.827961 | < R2 > | 68.802541 | < 1/R > | .172470 | < 1/R**2 > | .081638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.912473 | 1.28243727 |
| 2 | 3p | 4.715351 | -.36451237 |
| 3 | 2p | 9.612746 | .08050881 |
| 4 | 4p | 11.205508 | .01632011 |
| 5 | 5p | 1.174990 | .06308377 |
| 6 | 4p | .898956 | -.05177269 |
| 7 | 5p | 31.511093 | -.00011029 |
| 8 | 3p | 51.785379 | .00000452 |
| 9 | 3p | .591793 | -.01241804 |
| ORB.ENERGY,a.u. | -5.375100 | ||
| NORM | 1.000000 | < R > | .565209 | < R2 > | .404466 | < 1/R > | 2.311869 | < 1/R**2 > | 7.497603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.641065 | .34943494 |
| 2 | 2s | 5.127064 | -.83359100 |
| 3 | 3s | 4.279661 | -.30648271 |
| 4 | 4s | 16.730733 | .00533923 |
| 5 | 3s | 15.467489 | .00654054 |
| 6 | 5s | 34.070722 | .00028605 |
| 7 | 5s | 4.826160 | .01106668 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602047 | < R2 > | .430238 | < 1/R > | 2.416986 | < 1/R**2 > | 24.033202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91349896 |
| 2 | 1s | 18.070162 | .08416641 |
| 3 | 2s | 6.982002 | .01941422 |
| 4 | 3s | 8.832291 | -.02060030 |
| 5 | 4s | 11.201800 | .01069286 |
| 6 | 5s | 30.983124 | .00096179 |
| 7 | 4s | 73.134524 | -.00004158 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120147 | < R2 > | .019413 | < 1/R > | 12.596294 | < 1/R**2 > | 320.403471 |
Total Energy= -236.02721721 a.u.
Kinetic Energy= 236.01610616 a.u.
Potential Energy= -472.04332337 a.u.
Virial Ratio = -2.00004708