(1s 2 2s 2 3s 1 ) 2 S Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 9.418979 | .20023874 |
| 2 | 2s | 3.458694 | -1.16193123 |
| 3 | 3s | 2.925746 | 1.74834102 |
| 4 | 4s | 6.838739 | -.06413458 |
| 5 | 5s | 12.304156 | -.01371498 |
| 6 | 4s | 24.072498 | .00064448 |
| 7 | 5s | 2.919178 | -.00389597 |
| 8 | 4s | 1.794826 | .00039869 |
| ORB.ENERGY,a.u. | -4.223900 | ||
| NORM | 1.000000 | < R > | 1.437213 | < R2 > | 2.337109 | < 1/R > | .995830 | < 1/R**2 > | 5.916901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.262537 | .37159188 |
| 2 | 2s | 4.617288 | -.79802747 |
| 3 | 3s | 6.556650 | -.28724244 |
| 4 | 5s | 7.111479 | -.01326682 |
| 5 | 4s | 18.341702 | .01567992 |
| 6 | 5s | 22.924420 | -.00500999 |
| 7 | 4s | 2.568544 | -.00092247 |
| 8 | 4s | 56.750059 | .00008788 |
| ORB.ENERGY,a.u. | -11.084000 | ||
| NORM | 1.000000 | < R > | .576508 | < R2 > | .388833 | < 1/R > | 2.534958 | < 1/R**2 > | 25.924302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.265559 | .93471434 |
| 2 | 1s | 18.346687 | .06381907 |
| 3 | 2s | 12.002109 | .01994396 |
| 4 | 3s | 13.739228 | -.01630091 |
| 5 | 5s | 26.973700 | .00131385 |
| 6 | 4s | 62.386333 | -.00007029 |
| 7 | 5s | 3.187750 | -.00005182 |
| ORB.ENERGY,a.u. | -59.484000 |
| NORM | 1.000000 | < R > | .129301 | < R2 > | .022398 | < 1/R > | 11.670094 | < 1/R**2 > | 274.447286 |
Total Energy= -166.18377084 a.u.
Kinetic Energy= 166.18376713 a.u.
Potential Energy= -332.36753797 a.u.
Virial Ratio = -2.00000002