(1s 2 2s 2 2p 3 3s 1 ) 5 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 3s- electron | |
| 1 | 1s | 10.732604 | .15633015 |
| 2 | 2s | 4.002229 | -.67996606 |
| 3 | 3s | 2.449851 | 1.27311845 |
| 4 | 4s | 9.581179 | -.03272418 |
| 5 | 5s | 16.017577 | -.00273568 |
| 6 | 3s | 91.096646 | .00000699 |
| 7 | 5s | 2.450849 | -.03610848 |
| 8 | 4s | 2.054425 | .01710526 |
| ORB.ENERGY,a.u. | -2.900100 | ||
| NORM | 1.000000 | < R > | 1.573610 | < R2 > | 2.816765 | < 1/R > | .904392 | < 1/R**2 > | 5.022608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.784125 | 1.36956885 |
| 2 | 3p | 6.240163 | -.46600432 |
| 3 | 4p | 7.810421 | .08991400 |
| 4 | 4p | 20.168873 | -.00292346 |
| 5 | 5p | 4.037985 | .01945462 |
| 6 | 4p | 34.259157 | -.00033728 |
| 7 | 4p | 3.094862 | -.01026530 |
| 8 | 3p | 2.207399 | .00253835 |
| 9 | 3p | 43.802826 | -.00007050 |
| ORB.ENERGY,a.u. | -8.159600 | ||
| NORM | 1.000000 | < R > | .512827 | < R2 > | .322381 | < 1/R > | 2.500302 | < 1/R**2 > | 8.599198 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.368388 | .38199381 |
| 2 | 2s | 5.399867 | -.85841047 |
| 3 | 3s | 4.829988 | -.29206937 |
| 4 | 4s | 21.219980 | .00320807 |
| 5 | 3s | 11.385225 | .02286606 |
| 6 | 4s | 2.323320 | -.00431428 |
| 7 | 5s | 3.589414 | -.01372401 |
| 8 | 3s | 25.563274 | .00023740 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .575365 | < R2 > | .392125 | < 1/R > | 2.538294 | < 1/R**2 > | 26.362316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.954813 | .09203632 |
| 2 | 2s | 9.574248 | .01728708 |
| 3 | 3s | 13.488282 | -.01430601 |
| 4 | 4s | 25.202537 | .00337974 |
| 5 | 5s | 18.708579 | .00288036 |
| 6 | 5s | 3.640552 | .00079772 |
| 7 | 1s | 12.171868 | .90528962 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119808 | < R2 > | .019278 | < 1/R > | 12.618066 | < 1/R**2 > | 321.246999 |
Total Energy= -225.97703774 a.u.
Kinetic Energy= 226.01380585 a.u.
Potential Energy= -451.99084360 a.u.
Virial Ratio = -1.99983732