(1s 2 2s 2 2p 2 4d 1 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.659198 | 1.50004551 |
| 2 | 4d | 1.485849 | -2.00556779 |
| 3 | 3d | 4.657084 | .02833148 |
| 4 | 5d | 6.454565 | -.00875627 |
| 5 | 5d | 1.351688 | .01306821 |
| 6 | 5d | 13.784789 | .00005870 |
| 7 | 3d | 14.199526 | .00014251 |
| ORB.ENERGY,a.u. | -1.130900 | ||
| NORM | 1.000000 | < R > | 3.462069 | < R2 > | 13.746180 | < 1/R > | .384271 | < 1/R**2 > | .243343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.341073 | 1.20107055 |
| 2 | 3p | 5.202094 | -.22581251 |
| 3 | 2p | 11.835836 | .02071169 |
| 4 | 4p | 13.668372 | .00812455 |
| 5 | 5p | 19.606045 | -.00161946 |
| 6 | 5p | 2.646654 | .00073927 |
| 7 | 4p | 51.653197 | .00004009 |
| ORB.ENERGY,a.u. | -7.801700 | ||
| NORM | 1.000000 | < R > | .544388 | < R2 > | .361533 | < 1/R > | 2.343861 | < 1/R**2 > | 7.520101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.774713 | .37560984 |
| 2 | 2s | 4.909946 | -.82929808 |
| 3 | 3s | 5.083336 | -.27023362 |
| 4 | 4s | 19.194800 | .00268737 |
| 5 | 3s | 11.944337 | .01589572 |
| 6 | 5s | 5.033233 | -.04049221 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610579 | < R2 > | .438260 | < 1/R > | 2.383530 | < 1/R**2 > | 23.112621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173917 |
| 2 | 1s | 17.176059 | .08816906 |
| 3 | 2s | 10.298222 | .01904953 |
| 4 | 3s | 13.083375 | -.01555855 |
| 5 | 5s | 28.477819 | .00121232 |
| 6 | 4s | 69.237943 | -.00004012 |
| 7 | 5s | 8.928408 | .00063686 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129917 | < R2 > | .022659 | < 1/R > | 11.634956 | < 1/R**2 > | 273.173917 |
Total Energy= -181.16597678 a.u.
Kinetic Energy= 181.13066930 a.u.
Potential Energy= -362.29664608 a.u.
Virial Ratio = -2.00019493