(1s 2 2s 2 2p 1 3s 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 9.738580 | .16489604 |
| 2 | 2s | 3.305851 | -.98605471 |
| 3 | 3s | 2.661739 | 1.59570789 |
| 4 | 4s | 7.369424 | -.03821039 |
| 5 | 5s | 13.666228 | -.00824417 |
| 6 | 5s | 2.092475 | .01096081 |
| 7 | 4s | 1.804027 | -.01004177 |
| 8 | 4s | 57.270149 | -.00001932 |
| 9 | 2s | 48.424228 | -.00000449 |
| ORB.ENERGY,a.u. | -3.420800 | ||
| NORM | 1.000000 | < R > | 1.563448 | < R2 > | 2.750445 | < 1/R > | .884318 | < 1/R**2 > | 4.526414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.649550 | 1.08190091 |
| 2 | 3p | 5.804383 | -.10282652 |
| 3 | 2p | 11.315363 | .02186516 |
| 4 | 5p | 15.622412 | .00406446 |
| 5 | 4p | 16.510123 | -.00044068 |
| 6 | 5p | 4.680530 | .00655748 |
| 7 | 5p | 50.129831 | -.00001531 |
| 8 | 4p | 3.638018 | -.00302424 |
| ORB.ENERGY,a.u. | -8.967900 | ||
| NORM | 1.000000 | < R > | .524482 | < R2 > | .333845 | < 1/R > | 2.419411 | < 1/R**2 > | 7.964990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.407058 | .35481471 |
| 2 | 2s | 4.450542 | -.78762605 |
| 3 | 3s | 6.143332 | -.28129080 |
| 4 | 4s | 22.965498 | .00184711 |
| 5 | 5s | 12.333968 | -.01607379 |
| 6 | 5s | 3.335765 | .01010214 |
| 7 | 3s | 41.430644 | .00004027 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .588918 | < R2 > | .405500 | < 1/R > | 2.473330 | < 1/R**2 > | 24.751447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.205463 | .92767426 |
| 2 | 1s | 17.864570 | .07281236 |
| 3 | 2s | 10.345531 | .02243643 |
| 4 | 3s | 13.005036 | -.02035450 |
| 5 | 4s | 59.793678 | -.00008147 |
| 6 | 5s | 26.869456 | .00109742 |
| 7 | 5s | 3.522288 | -.00090856 |
| 8 | 3s | 5.536845 | .00034482 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129667 | < R2 > | .022554 | < 1/R > | 11.649121 | < 1/R**2 > | 273.684638 |
Total Energy= -175.18089318 a.u.
Kinetic Energy= 175.14872944 a.u.
Potential Energy= -350.32962262 a.u.
Virial Ratio = -2.00018364