(1s 2 2s 2 2p 5 4p 1 ) 3 S Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4.986961 | .15024381 |
| 2 | 3p | .524213 | 2.86955282 |
| 3 | 4p | 1.622020 | -.83979546 |
| 4 | 5p | 3.140678 | -.12812106 |
| 5 | 3p | 7.635667 | -.01556918 |
| 6 | 5p | .678488 | -1.58119497 |
| 7 | 4p | 21.395442 | -.00032212 |
| 8 | 3p | .245207 | -.29102524 |
| 9 | 5p | 67.147268 | -.00000801 |
| 10 | 5p | .307132 | .17453545 |
| ORB.ENERGY,a.u. | -.390650 | ||
| NORM | .999999 | < R > | 5.495810 | < R2 > | 34.193369 | < 1/R > | .253402 | < 1/R**2 > | .202824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.277436 | 1.35229855 |
| 2 | 3p | 3.940227 | -.45756897 |
| 3 | 2p | 8.538550 | .10131986 |
| 4 | 4p | 2.428258 | .00459715 |
| 5 | 5p | 1.001962 | -.00209122 |
| 6 | 4p | 9.426700 | .02692412 |
| 7 | 4p | 13.274620 | .00252856 |
| 8 | 5p | 59.846492 | .00002255 |
| 9 | 5p | 3.735907 | -.01584908 |
| ORB.ENERGY,a.u. | -3.703200 | ||
| NORM | 1.000000 | < R > | .640921 | < R2 > | .514869 | < 1/R > | 2.052380 | < 1/R**2 > | 5.957036 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.892881 | .33558276 |
| 2 | 2s | 4.635179 | -.82461506 |
| 3 | 3s | 3.828898 | -.30209579 |
| 4 | 4s | 15.785404 | .00570197 |
| 5 | 3s | 14.316957 | .00660287 |
| 6 | 5s | 33.298457 | .00022157 |
| 7 | 5s | 2.312380 | -.00121416 |
| 8 | 4s | 2.786484 | .00051719 |
| 9 | 3s | 1.231888 | .00067083 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669515 | < R2 > | .533813 | < 1/R > | 2.170265 | < 1/R**2 > | 19.402820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193159 | .90716453 |
| 2 | 1s | 16.608276 | .09137991 |
| 3 | 2s | 6.093118 | .01902902 |
| 4 | 3s | 7.732444 | -.02091070 |
| 5 | 4s | 9.884201 | .01073647 |
| 6 | 5s | 28.711029 | .00102504 |
| 7 | 4s | 67.621137 | -.00004298 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130498 | < R2 > | .022912 | < 1/R > | 11.603048 | < 1/R**2 > | 272.028159 |
Total Energy= -196.31914907 a.u.
Kinetic Energy= 196.33105953 a.u.
Potential Energy= -392.65020860 a.u.
Virial Ratio = -1.99993933