(1s 2 2s 2 2p 2 3d 1 ) 4 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d- electron | |
| 1 | 3d | 2.445823 | 1.10890696 |
| 2 | 3d | 5.550824 | .05234947 |
| 3 | 4d | 2.863780 | -.14231073 |
| 4 | 5d | 18.604901 | -.00022515 |
| 5 | 4d | 47.203751 | .00000350 |
| ORB.ENERGY,a.u. | -2.863700 | ||
| NORM | 1.000000 | < R > | 1.374854 | < R2 > | 2.189554 | < 1/R > | .865057 | < 1/R**2 > | .922905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.742474 | 1.22008845 |
| 2 | 3p | 5.605034 | -.24954941 |
| 3 | 2p | 12.226521 | .02343676 |
| 4 | 4p | 13.353599 | .00565312 |
| 5 | 5p | 27.796438 | -.00031550 |
| 6 | 5p | 3.797679 | .00322396 |
| ORB.ENERGY,a.u. | -9.574100 | ||
| NORM | 1.000000 | < R > | .494488 | < R2 > | .298625 | < 1/R > | 2.581264 | < 1/R**2 > | 9.115142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.507625 | .38725245 |
| 2 | 2s | 5.414777 | -.83540716 |
| 3 | 3s | 5.598315 | -.27307516 |
| 4 | 4s | 21.047876 | .00251179 |
| 5 | 3s | 12.800341 | .01552803 |
| 6 | 5s | 5.465463 | -.03933991 |
| 7 | 4s | 2.752887 | -.00026473 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555579 | < R2 > | .362818 | < 1/R > | 2.626321 | < 1/R**2 > | 28.057823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159969 | .91996046 |
| 2 | 1s | 18.805956 | .07951188 |
| 3 | 2s | 11.317870 | .01917604 |
| 4 | 3s | 14.397081 | -.01548780 |
| 5 | 5s | 30.700791 | .00111343 |
| 6 | 4s | 73.241191 | -.00004113 |
| 7 | 5s | 9.653653 | .00058430 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119587 | < R2 > | .019190 | < 1/R > | 12.632992 | < 1/R**2 > | 321.839218 |
Total Energy= -217.07582826 a.u.
Kinetic Energy= 217.09440550 a.u.
Potential Energy= -434.17023376 a.u.
Virial Ratio = -1.99991443