(1s 2 2s 2 2p 2 3s 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 9.889704 | .16079978 |
| 2 | 2s | 3.571736 | -.76114480 |
| 3 | 3s | 2.405265 | 1.34189790 |
| 4 | 4s | 8.521669 | -.03830003 |
| 5 | 5s | 14.489390 | -.00401956 |
| 6 | 4s | 41.065606 | -.00003869 |
| ORB.ENERGY,a.u. | -2.765700 | ||
| NORM | 1.000000 | < R > | 1.649710 | < R2 > | 3.089797 | < 1/R > | .860780 | < 1/R**2 > | 4.498175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.203205 | 1.24592497 |
| 2 | 3p | 4.861463 | -.28233483 |
| 3 | 2p | 11.388330 | .02657616 |
| 4 | 4p | 13.312080 | .01135191 |
| 5 | 5p | 18.629593 | -.00243002 |
| 6 | 5p | 3.157535 | .00132492 |
| 7 | 4p | 50.176475 | .00005393 |
| ORB.ENERGY,a.u. | -7.568100 | ||
| NORM | 1.000000 | < R > | .547451 | < R2 > | .366173 | < 1/R > | 2.333484 | < 1/R**2 > | 7.460370 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.589793 | .38453633 |
| 2 | 2s | 5.000052 | -.85280549 |
| 3 | 3s | 4.689707 | -.28947155 |
| 4 | 4s | 20.170580 | .00255603 |
| 5 | 3s | 11.008023 | .02428735 |
| 6 | 5s | 4.114331 | -.01378398 |
| 7 | 4s | 2.470833 | -.00770653 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .615184 | < R2 > | .446650 | < 1/R > | 2.369978 | < 1/R**2 > | 22.890004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.158514 | .91176012 |
| 2 | 1s | 17.040732 | .08908343 |
| 3 | 2s | 9.306762 | .01885306 |
| 4 | 3s | 12.288548 | -.01588091 |
| 5 | 5s | 28.263161 | .00097882 |
| 6 | 4s | 62.635069 | -.00005958 |
| 7 | 5s | 3.487259 | .00058142 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129912 | < R2 > | .022657 | < 1/R > | 11.635059 | < 1/R**2 > | 273.172971 |
Total Energy= -182.73838795 a.u.
Kinetic Energy= 182.76161202 a.u.
Potential Energy= -365.49999998 a.u.
Virial Ratio = -1.99987293