(1s 2 2s 2 2p 1 3s 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 9.712565 | .17848943 |
| 2 | 2s | 3.472212 | -.95350728 |
| 3 | 3s | 2.678471 | 1.52915220 |
| 4 | 4s | 7.760591 | -.04733532 |
| 5 | 5s | 13.643959 | -.00832143 |
| 6 | 5s | 2.478509 | .00333866 |
| 7 | 4s | 57.462832 | -.00001679 |
| ORB.ENERGY,a.u. | -3.467400 | ||
| NORM | 1.000000 | < R > | 1.533430 | < R2 > | 2.664497 | < 1/R > | .929762 | < 1/R**2 > | 5.200510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.663044 | 1.07840268 |
| 2 | 3p | 5.729880 | -.10484163 |
| 3 | 5p | 71.312034 | -.00001896 |
| 4 | 2p | 10.961626 | .02301766 |
| 5 | 5p | 12.582920 | .00376476 |
| 6 | 4p | 23.587368 | -.00083018 |
| 7 | 5p | 4.525697 | .01142906 |
| ORB.ENERGY,a.u. | -9.014500 | ||
| NORM | 1.000000 | < R > | .524752 | < R2 > | .334697 | < 1/R > | 2.419880 | < 1/R**2 > | 7.968270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.833938 | .33130583 |
| 2 | 2s | 3.789392 | -.84460345 |
| 3 | 3s | 6.643291 | -.32712849 |
| 4 | 4s | 4.392704 | .14559290 |
| 5 | 5s | 13.744389 | -.01243925 |
| 6 | 5s | 3.059417 | -.00346544 |
| 7 | 3s | 43.120974 | -.00016008 |
| 8 | 5s | 94.456545 | .00002384 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .595220 | < R2 > | .416117 | < 1/R > | 2.451681 | < 1/R**2 > | 24.373061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.199397 | .90851962 |
| 2 | 1s | 16.621478 | .09222251 |
| 3 | 2s | 8.907884 | .01152435 |
| 4 | 3s | 11.379405 | -.00891953 |
| 5 | 4s | 81.105557 | -.00002492 |
| 6 | 5s | 29.537433 | .00132257 |
| 7 | 5s | 3.461449 | .00026761 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129630 | < R2 > | .022536 | < 1/R > | 11.651080 | < 1/R**2 > | 273.753850 |
Total Energy= -175.18259540 a.u.
Kinetic Energy= 175.19519360 a.u.
Potential Energy= -350.37778901 a.u.
Virial Ratio = -1.99992809