(1s 2 4p 1 ) 2 P Mg 9+
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 | 5.204021 | .41582631 |
| 2 | 3p | 2.420655 | -1.03781309 |
| 3 | 5p | 2.689309 | 1.83431172 |
| 4 | 4p | 3.711300 | -.54337309 |
| 5 | 5p | 7.564898 | .03257265 |
| 6 | 4p | 16.894109 | -.00443121 |
| 7 | 5p | 2.203362 | .05838426 |
| 8 | 5p | 36.469351 | -.00017614 |
| 9 | 3p | 28.197409 | -.00033168 |
| ORB.ENERGY,a.u. | -3.157600 | ||
| NORM | 1.000000 | < R > | 2.276697 | < R2 > | 5.880522 | < 1/R > | .633779 | < 1/R**2 > | 1.094612 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.443049 | .93680516 |
| 2 | 1s | 18.739957 | .05115394 |
| 3 | 2s | 14.541824 | .01667441 |
| 4 | 3s | 12.493269 | .00270407 |
| 5 | 4s | 20.700619 | -.00122036 |
| 6 | 5s | 25.889408 | .00043356 |
| 7 | 3s | 30.642094 | -.00072905 |
| ORB.ENERGY,a.u. | -64.053000 |
| NORM | 1.000000 | < R > | .129082 | < R2 > | .022309 | < 1/R > | 11.684967 | < 1/R**2 > | 275.047048 |
Total Energy= -139.76663756 a.u.
Kinetic Energy= 139.76663868 a.u.
Potential Energy= -279.53327624 a.u.
Virial Ratio = -1.99999999