(1s 2 2s 2 2p 2 4p 1 ) 2 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 5.510556 | .21731104 |
| 2 | 3p | 1.227880 | -.40510245 |
| 3 | 5p | 1.787949 | 1.39791313 |
| 4 | 4p | 2.804947 | -.70424398 |
| 5 | 5p | 7.288852 | .02534571 |
| 6 | 4p | 17.823064 | -.00221641 |
| 7 | 5p | 1.434211 | .18131643 |
| 8 | 5p | 43.167377 | -.00014761 |
| 9 | 4p | 65.351066 | -.00002735 |
| ORB.ENERGY,a.u. | -1.319100 | ||
| NORM | 1.000000 | < R > | 3.276631 | < R2 > | 12.136111 | < 1/R > | .429736 | < 1/R**2 > | .529286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.336770 | 1.19904876 |
| 2 | 3p | 5.204063 | -.22426496 |
| 3 | 2p | 11.829340 | .02092485 |
| 4 | 4p | 13.718085 | .00880970 |
| 5 | 5p | 19.468928 | -.00192997 |
| 6 | 5p | 2.065854 | -.00205108 |
| 7 | 4p | 2.110471 | .00246633 |
| 8 | 4p | 52.459049 | .00004175 |
| ORB.ENERGY,a.u. | -7.869300 | ||
| NORM | 1.000000 | < R > | .545218 | < R2 > | .362682 | < 1/R > | 2.340783 | < 1/R**2 > | 7.502313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.751752 | .37675792 |
| 2 | 2s | 4.927220 | -.82955498 |
| 3 | 3s | 5.100413 | -.27026993 |
| 4 | 4s | 19.804887 | .00257901 |
| 5 | 3s | 11.487425 | .01840607 |
| 6 | 5s | 5.079553 | -.04459329 |
| 7 | 4s | 1.289784 | .00016841 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610805 | < R2 > | .438570 | < 1/R > | 2.382467 | < 1/R**2 > | 23.093099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.155675 | .91175041 |
| 2 | 1s | 17.177186 | .08817189 |
| 3 | 2s | 10.269553 | .01907051 |
| 4 | 3s | 13.086524 | -.01555800 |
| 5 | 5s | 28.460214 | .00121191 |
| 6 | 4s | 69.252694 | -.00003914 |
| 7 | 5s | 9.065961 | .00061753 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129934 | < R2 > | .022666 | < 1/R > | 11.633957 | < 1/R**2 > | 273.136896 |
Total Energy= -181.29072888 a.u.
Kinetic Energy= 181.31835333 a.u.
Potential Energy= -362.60908221 a.u.
Virial Ratio = -1.99984765