(1s 2 2s 2 2p 6 4p 1 ) 2 P Mg +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 3.413485 | .23296983 |
| 2 | 3p | 4.466973 | -.15948938 |
| 3 | 4p | 1.214017 | -.51014819 |
| 4 | 5p | .709805 | .88361745 |
| 5 | 4p | 5.600844 | .03420601 |
| 6 | 3p | 1.474439 | -.25067139 |
| 7 | 2p | .429389 | .32707536 |
| 8 | 3p | 12.260960 | -.00093652 |
| ORB.ENERGY,a.u. | -.183310 | ||
| NORM | .999999 | < R > | 7.759514 | < R2 > | 68.309062 | < 1/R > | .175440 | < 1/R**2 > | .092426 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.626808 | .49811863 |
| 2 | 3p | 4.237558 | .45634643 |
| 3 | 4p | 3.353780 | .14696198 |
| 4 | 5p | 2.695736 | .00539394 |
| 5 | 2p | 11.209230 | .01836075 |
| 6 | 5p | 15.091184 | .00243860 |
| 7 | 4p | 67.195100 | .00000667 |
| 8 | 3p | 139.045426 | .00000067 |
| 9 | 5p | .727004 | -.00006269 |
| ORB.ENERGY,a.u. | -2.461100 | ||
| NORM | 1.000000 | < R > | .681272 | < R2 > | .589264 | < 1/R > | 1.958043 | < 1/R**2 > | 5.497878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.523169 | .29691028 |
| 2 | 2s | 4.686771 | -.76565451 |
| 3 | 3s | 3.756201 | -.35765041 |
| 4 | 4s | 14.875054 | .02541175 |
| 5 | 3s | 22.096810 | .01434372 |
| 6 | 4s | 2.463456 | -.01717247 |
| 7 | 5s | 23.395690 | .00438804 |
| 8 | 5s | 2.570336 | .00852697 |
| 9 | 2s | 33.538359 | .00161075 |
| ORB.ENERGY,a.u. | -3.955800 | ||
| NORM | 1.000000 | < R > | .690601 | < R2 > | .571383 | < 1/R > | 2.106556 | < 1/R**2 > | 18.359579 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.589178 | 1.01743485 |
| 2 | 2s | 16.675292 | -.02556743 |
| 3 | 3s | 7.764972 | .02481993 |
| 4 | 4s | 41.807370 | -.00028422 |
| 5 | 4s | 9.132212 | .00231044 |
| 6 | 5s | 9.850338 | -.01176751 |
| 7 | 2s | 98.518056 | .00000570 |
| 8 | 3s | 3.583308 | .00217234 |
| 9 | 2s | 3.083486 | -.00273513 |
| 10 | 5s | 91.609927 | -.00001103 |
| ORB.ENERGY,a.u. | -48.571000 |
| NORM | 1.000000 | < R > | .130599 | < R2 > | .022958 | < 1/R > | 11.597728 | < 1/R**2 > | 271.840245 |
Total Energy= -199.01410012 a.u.
Kinetic Energy= 199.01409130 a.u.
Potential Energy= -398.02819142 a.u.
Virial Ratio = -2.00000004