(1s 2 2s 2 2p 5 4p 1 ) 1 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 5.556402 | .15695171 |
| 2 | 3p | .777329 | 2.35000583 |
| 3 | 4p | 1.893166 | -1.08417136 |
| 4 | 5p | 3.556219 | -.14898489 |
| 5 | 3p | 8.172825 | -.01613426 |
| 6 | 5p | .913755 | -.89253676 |
| 7 | 4p | 26.784100 | -.00037274 |
| 8 | 5p | 37.868245 | .00011484 |
| 9 | 4p | .386710 | -.00157422 |
| ORB.ENERGY,a.u. | -.644420 | ||
| NORM | 1.000000 | < R > | 4.450254 | < R2 > | 22.391617 | < 1/R > | .310163 | < 1/R**2 > | .285343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.844782 | 1.28746872 |
| 2 | 3p | 4.565558 | -.37978693 |
| 3 | 2p | 9.577032 | .08646436 |
| 4 | 4p | 11.247589 | .01986819 |
| 5 | 5p | 25.498414 | .00020214 |
| 6 | 5p | 1.206288 | .00060203 |
| 7 | 4p | 47.181921 | .00004263 |
| 8 | 3p | .894068 | .00055167 |
| ORB.ENERGY,a.u. | -5.265100 | ||
| NORM | 1.000000 | < R > | .565532 | < R2 > | .398191 | < 1/R > | 2.309200 | < 1/R**2 > | 7.484039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.655267 | .34857948 |
| 2 | 2s | 5.132963 | -.82567312 |
| 3 | 3s | 4.387412 | -.30031311 |
| 4 | 4s | 17.104094 | .00490197 |
| 5 | 3s | 15.299404 | .00654631 |
| 6 | 5s | 34.955934 | .00024568 |
| 7 | 5s | 4.330026 | -.00434150 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602361 | < R2 > | .430755 | < 1/R > | 2.415865 | < 1/R**2 > | 24.013140 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197042 | .91350124 |
| 2 | 1s | 18.070162 | .08416558 |
| 3 | 2s | 6.980767 | .01942141 |
| 4 | 3s | 8.827187 | -.02061298 |
| 5 | 4s | 11.193872 | .01071031 |
| 6 | 5s | 30.895461 | .00095660 |
| 7 | 4s | 73.120506 | -.00004356 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120150 | < R2 > | .019414 | < 1/R > | 12.596095 | < 1/R**2 > | 320.395491 |
Total Energy= -236.28904739 a.u.
Kinetic Energy= 236.28715019 a.u.
Potential Energy= -472.57619758 a.u.
Virial Ratio = -2.00000803