(1s 2 2s 2 2p 2 4s 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 9.921621 | .09507875 |
| 2 | 2s | 2.390983 | -1.21871238 |
| 3 | 3s | 2.243307 | 2.68838532 |
| 4 | 4s | 1.683334 | -1.89164617 |
| 5 | 5s | 3.262823 | -.23206084 |
| 6 | 4s | 9.571445 | -.01947670 |
| 7 | 5s | 24.138687 | .00020162 |
| 8 | 5s | .861107 | .00043426 |
| ORB.ENERGY,a.u. | -1.416600 | ||
| NORM | 1.000000 | < R > | 3.198287 | < R2 > | 11.488590 | < 1/R > | .445924 | < 1/R**2 > | 1.599056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.344065 | 1.20794862 |
| 2 | 3p | 5.245473 | -.23123956 |
| 3 | 2p | 11.614854 | .02057372 |
| 4 | 4p | 12.487966 | .00476354 |
| 5 | 5p | 2.097661 | -.00535320 |
| 6 | 5p | 25.916760 | -.00031696 |
| 7 | 4p | 1.841994 | .00568115 |
| ORB.ENERGY,a.u. | -7.866200 | ||
| NORM | 1.000000 | < R > | .545374 | < R2 > | .362888 | < 1/R > | 2.340077 | < 1/R**2 > | 7.497558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.601920 | .38566978 |
| 2 | 2s | 4.994028 | -.85586055 |
| 3 | 3s | 4.670390 | -.29213667 |
| 4 | 4s | 19.797958 | .00247341 |
| 5 | 3s | 11.264759 | .02276971 |
| 6 | 5s | 3.805232 | -.00786844 |
| 7 | 4s | 1.551614 | .00577255 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610877 | < R2 > | .438825 | < 1/R > | 2.382649 | < 1/R**2 > | 23.098827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.153025 | .90998590 |
| 2 | 1s | 17.003830 | .09067561 |
| 3 | 2s | 9.336003 | .01947200 |
| 4 | 3s | 12.297333 | -.01633646 |
| 5 | 5s | 28.280434 | .00101909 |
| 6 | 4s | 63.298956 | -.00005557 |
| 7 | 5s | 4.349361 | .00032597 |
| 8 | 3s | 1.102163 | -.00033558 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022659 | < 1/R > | 11.634958 | < 1/R**2 > | 273.172279 |
Total Energy= -181.40771123 a.u.
Kinetic Energy= 181.41480166 a.u.
Potential Energy= -362.82251289 a.u.
Virial Ratio = -1.99996092