(1s 2 2s 2 2p 5 4p 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 5.570013 | .15806011 |
| 2 | 3p | .741345 | 2.51663377 |
| 3 | 4p | 1.903338 | -1.05014739 |
| 4 | 5p | 3.576941 | -.13994493 |
| 5 | 3p | 8.259032 | -.01539322 |
| 6 | 5p | .896221 | -1.10522883 |
| 7 | 4p | 23.062811 | -.00033794 |
| 8 | 3p | 35.769045 | -.00002615 |
| 9 | 4p | .548840 | -.02123220 |
| ORB.ENERGY,a.u. | -.642980 | ||
| NORM | 1.000000 | < R > | 4.455523 | < R2 > | 22.451751 | < 1/R > | .310775 | < 1/R**2 > | .289474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.846330 | 1.29348756 |
| 2 | 3p | 4.572530 | -.38455938 |
| 3 | 2p | 9.597331 | .08524949 |
| 4 | 4p | 11.276056 | .01938458 |
| 5 | 5p | 25.552846 | .00017290 |
| 6 | 5p | 2.491729 | .00056282 |
| 7 | 4p | 47.777578 | .00003881 |
| 8 | 3p | .628622 | .00018254 |
| ORB.ENERGY,a.u. | -5.263700 | ||
| NORM | 1.000000 | < R > | .565636 | < R2 > | .398376 | < 1/R > | 2.309011 | < 1/R**2 > | 7.483291 |
| 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= -236.28905893 a.u.
Kinetic Energy= 236.28568731 a.u.
Potential Energy= -472.57474623 a.u.
Virial Ratio = -2.00001427