(1s 2 2s 2 2p 2 5p 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 2.864738 | .28164645 |
| 2 | 3p | 1.513804 | -2.80679522 |
| 3 | 4p | 1.346620 | 6.34703730 |
| 4 | 5p | 1.267013 | -4.37886641 |
| 5 | 2p | 7.174266 | .03630481 |
| 6 | 5p | 24.779101 | -.00034816 |
| 7 | 4p | 37.088317 | -.00007084 |
| 8 | 5p | 1.061786 | -.05701755 |
| ORB.ENERGY,a.u. | -.789140 | ||
| NORM | .999996 | < R > | 5.551119 | < R2 > | 34.630591 | < 1/R > | .251242 | < 1/R**2 > | .199462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.533790 | 1.30635682 |
| 2 | 3p | 6.029536 | -.38118748 |
| 3 | 4p | 7.687883 | .07285558 |
| 4 | 5p | 1.565751 | .12370817 |
| 5 | 4p | 1.237445 | -.13753256 |
| 6 | 5p | 23.304949 | -.00174481 |
| 7 | 4p | 31.379362 | -.00061232 |
| 8 | 3p | 1.392292 | .01582599 |
| 9 | 3p | 46.766596 | -.00003826 |
| 10 | 5p | .676663 | -.00036209 |
| ORB.ENERGY,a.u. | -7.986600 | ||
| NORM | 1.000000 | < R > | .544094 | < R2 > | .366831 | < 1/R > | 2.347266 | < 1/R**2 > | 7.537380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.777490 | .37563044 |
| 2 | 2s | 4.907186 | -.82975962 |
| 3 | 3s | 5.089619 | -.27024416 |
| 4 | 4s | 19.294493 | .00265997 |
| 5 | 3s | 11.893194 | .01605806 |
| 6 | 5s | 5.044726 | -.03955643 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610223 | < R2 > | .437663 | < 1/R > | 2.384729 | < 1/R**2 > | 23.133660 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156220 | .91174235 |
| 2 | 1s | 17.176059 | .08817260 |
| 3 | 2s | 10.282643 | .01906058 |
| 4 | 3s | 13.083624 | -.01555903 |
| 5 | 5s | 28.464677 | .00121230 |
| 6 | 4s | 69.258679 | -.00003994 |
| 7 | 5s | 8.998210 | .00062634 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129925 | < R2 > | .022662 | < 1/R > | 11.634482 | < 1/R**2 > | 273.156296 |
Total Energy= -180.80097020 a.u.
Kinetic Energy= 180.78868979 a.u.
Potential Energy= -361.58965999 a.u.
Virial Ratio = -2.00006793