(1s 2 2s 2 2p 4 4d 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | 1.215121 | 1.15343557 |
| 2 | 4d | .994730 | -1.67412823 |
| 3 | 3d | 4.463261 | .03051295 |
| 4 | 4d | 3.116142 | .03044730 |
| 5 | 5d | 7.484383 | -.00052090 |
| 6 | 5d | .848518 | .01559869 |
| 7 | 4d | 29.603806 | .00001193 |
| ORB.ENERGY,a.u. | -.515860 | ||
| NORM | .999999 | < R > | 5.021854 | < R2 > | 29.039850 | < 1/R > | .269949 | < 1/R**2 > | .125806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.069049 | .07361104 |
| 2 | 4p | 10.374655 | .01757330 |
| 3 | 2p | 3.662977 | 1.26854984 |
| 4 | 3p | 4.349793 | -.34769006 |
| 5 | 5p | 2.366649 | .00514438 |
| 6 | 5p | 28.769959 | -.00013520 |
| 7 | 4p | 1.923356 | -.00473061 |
| ORB.ENERGY,a.u. | -4.816200 | ||
| NORM | 1.000000 | < R > | .604050 | < R2 > | .452204 | < 1/R > | 2.151012 | < 1/R**2 > | 6.460662 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.824300 | .34987045 |
| 2 | 2s | 4.736419 | -.83296608 |
| 3 | 3s | 4.104409 | -.29467670 |
| 4 | 4s | 14.814003 | .00970730 |
| 5 | 3s | 16.101654 | .00523607 |
| 6 | 5s | 29.755047 | .00043893 |
| 7 | 5s | 3.878875 | -.00278350 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648934 | < R2 > | .498960 | < 1/R > | 2.238650 | < 1/R**2 > | 20.558598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829463 |
| 2 | 1s | 16.928557 | .07951013 |
| 3 | 2s | 6.357321 | .01947630 |
| 4 | 3s | 7.911136 | -.02012859 |
| 5 | 4s | 10.067866 | .00976377 |
| 6 | 5s | 28.474735 | .00098669 |
| 7 | 4s | 64.353691 | -.00005027 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130349 | < R2 > | .022846 | < 1/R > | 11.611051 | < 1/R**2 > | 272.313628 |
Total Energy= -192.50266206 a.u.
Kinetic Energy= 192.49883022 a.u.
Potential Energy= -385.00149228 a.u.
Virial Ratio = -2.00001991