(1s 2 2s 2 3p 1 ) 2 P Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 3.676616 | .74942390 |
| 2 | 3p | 2.763959 | -1.41951487 |
| 3 | 2p | 8.167839 | .06630910 |
| 4 | 4p | 8.845248 | .02104401 |
| 5 | 5p | 15.351884 | .00236188 |
| 6 | 5p | 2.789008 | .01488750 |
| ORB.ENERGY,a.u. | -3.915600 | ||
| NORM | 1.000000 | < R > | 1.417210 | < R2 > | 2.311407 | < 1/R > | .980934 | < 1/R**2 > | 2.016868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.266418 | .37007611 |
| 2 | 2s | 4.618834 | -.79409434 |
| 3 | 3s | 6.245480 | -.28262951 |
| 4 | 5s | 11.326913 | -.01537970 |
| 5 | 4s | 22.185974 | .00473218 |
| 6 | 5s | 30.915358 | -.00093899 |
| 7 | 4s | 2.598424 | -.00017115 |
| ORB.ENERGY,a.u. | -11.063000 | ||
| NORM | 1.000000 | < R > | .578125 | < R2 > | .390993 | < 1/R > | 2.526511 | < 1/R**2 > | 25.757676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.271389 | .93573020 |
| 2 | 1s | 18.673666 | .06123834 |
| 3 | 2s | 12.863671 | .02062082 |
| 4 | 3s | 14.468954 | -.01508452 |
| 5 | 5s | 27.079327 | .00143282 |
| 6 | 4s | 64.783221 | -.00006047 |
| 7 | 5s | 4.079169 | -.00006098 |
| ORB.ENERGY,a.u. | -59.475000 |
| NORM | 1.000000 | < R > | .129346 | < R2 > | .022416 | < 1/R > | 11.667438 | < 1/R**2 > | 274.352829 |
Total Energy= -165.87957711 a.u.
Kinetic Energy= 165.87957985 a.u.
Potential Energy= -331.75915696 a.u.
Virial Ratio = -1.99999998