(1s 2 2s 2 2p 1 4p 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 5.450367 | .25770503 |
| 2 | 3p | 1.750370 | -.51909072 |
| 3 | 5p | 2.084152 | 1.13082463 |
| 4 | 4p | 3.050991 | -.63924781 |
| 5 | 5p | 7.094739 | .02577172 |
| 6 | 4p | 16.913433 | -.00279709 |
| 7 | 5p | 1.869168 | .46112825 |
| 8 | 5p | 38.092391 | -.00026098 |
| 9 | 4p | 58.423125 | -.00005332 |
| ORB.ENERGY,a.u. | -1.719600 | ||
| NORM | 1.000000 | < R > | 2.932405 | < R2 > | 9.722773 | < 1/R > | .481604 | < 1/R**2 > | .650670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.675670 | 1.08024832 |
| 2 | 3p | 5.809499 | -.10437171 |
| 3 | 2p | 11.068587 | .02257462 |
| 4 | 5p | 13.368036 | .00475058 |
| 5 | 4p | 25.741930 | -.00041509 |
| 6 | 5p | 4.602698 | .00591981 |
| 7 | 5p | 81.869375 | -.00000706 |
| ORB.ENERGY,a.u. | -9.347900 | ||
| NORM | 1.000000 | < R > | .521884 | < R2 > | .330645 | < 1/R > | 2.430925 | < 1/R**2 > | 8.035314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.524324 | .34689313 |
| 2 | 2s | 4.281030 | -.79676529 |
| 3 | 3s | 6.413931 | -.27781358 |
| 4 | 4s | 22.436561 | .00170967 |
| 5 | 5s | 12.520029 | -.01335262 |
| 6 | 5s | 4.765392 | .01763141 |
| 7 | 4s | 1.997465 | .00032716 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592864 | < R2 > | .411919 | < 1/R > | 2.458677 | < 1/R**2 > | 24.487215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194114 | .92263655 |
| 2 | 1s | 17.381249 | .07926545 |
| 3 | 2s | 9.731683 | .01718752 |
| 4 | 3s | 12.448608 | -.01618756 |
| 5 | 4s | 60.089782 | -.00007320 |
| 6 | 5s | 27.671544 | .00097197 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129642 | < R2 > | .022541 | < 1/R > | 11.650473 | < 1/R**2 > | 273.735704 |
Total Energy= -173.42679589 a.u.
Kinetic Energy= 173.45158866 a.u.
Potential Energy= -346.87838455 a.u.
Virial Ratio = -1.99985706