(1s 2 2s 2 2p 5 4p 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 5.571616 | .15766475 |
| 2 | 3p | .742037 | 2.51407871 |
| 3 | 4p | 1.902799 | -1.05091135 |
| 4 | 5p | .896690 | -1.10107641 |
| 5 | 5p | 3.575727 | -.14033183 |
| 6 | 3p | 8.291389 | -.01509100 |
| 7 | 4p | 26.263375 | -.00040174 |
| 8 | 5p | 36.934433 | .00012339 |
| 9 | 4p | .550822 | -.02124360 |
| ORB.ENERGY,a.u. | -.642980 | ||
| NORM | 1.000001 | < R > | 4.455521 | < R2 > | 22.451721 | < 1/R > | .310775 | < 1/R**2 > | .289474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.831872 | 1.30351438 |
| 2 | 3p | 4.558162 | -.39393661 |
| 3 | 2p | 9.521442 | .08702133 |
| 4 | 4p | 11.233072 | .01818366 |
| 5 | 3p | 40.569239 | .00002629 |
| 6 | 5p | 2.868564 | .00129273 |
| 7 | 4p | 3.369653 | -.00312007 |
| 8 | 3p | .632592 | .00019442 |
| ORB.ENERGY,a.u. | -5.263700 | ||
| NORM | 1.000000 | < R > | .565636 | < R2 > | .398375 | < 1/R > | 2.309012 | < 1/R**2 > | 7.483294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.655189 | .34858385 |
| 2 | 2s | 5.132991 | -.82567498 |
| 3 | 3s | 4.387413 | -.30031217 |
| 4 | 4s | 17.113613 | .00489538 |
| 5 | 3s | 15.290254 | .00655182 |
| 6 | 5s | 35.005852 | .00024482 |
| 7 | 5s | 4.328000 | -.00434840 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602362 | < R2 > | .430758 | < 1/R > | 2.415867 | < 1/R**2 > | 24.013214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196893 | .91350607 |
| 2 | 1s | 18.071617 | .08416234 |
| 3 | 2s | 6.982550 | .01941427 |
| 4 | 3s | 8.829796 | -.02060661 |
| 5 | 4s | 11.195980 | .01070780 |
| 6 | 5s | 30.949802 | .00095664 |
| 7 | 4s | 73.049009 | -.00004196 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120150 | < R2 > | .019414 | < 1/R > | 12.596091 | < 1/R**2 > | 320.395355 |
Total Energy= -236.28906093 a.u.
Kinetic Energy= 236.28571207 a.u.
Potential Energy= -472.57477300 a.u.
Virial Ratio = -2.00001417