(1s 1 2s 1 ) 1 S S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 5.479142 | .59025570 |
| 2 | 2s | 6.894129 | -1.10503006 |
| 3 | 3s | 9.847653 | -.47252353 |
| 4 | 4s | 11.919952 | .04589861 |
| 5 | 5s | 20.352707 | -.00645500 |
| 6 | 5s | 4.041539 | -.00127416 |
| 7 | 3s | 51.092328 | -.00005221 |
| 8 | 4s | 3.179725 | .00087913 |
| ORB.ENERGY,a.u. | -29.506000 | ||
| NORM | 1.000000 | < R > | .390413 | < R2 > | .174158 | < 1/R > | 3.029824 | < 1/R**2 > | 15.371783 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.265691 | 1.02209480 |
| 2 | 2s | 18.253755 | .02165062 |
| 3 | 3s | 9.089548 | -.22419585 |
| 4 | 4s | 33.237291 | .00070464 |
| 5 | 5s | 12.245294 | .02292165 |
| 6 | 4s | 7.476207 | -.00869584 |
| 7 | 3s | 51.421741 | .00005700 |
| ORB.ENERGY,a.u. | -125.510000 |
| NORM | 1.000000 | < R > | .092448 | < R2 > | .013971 | < 1/R > | 16.776279 | < 1/R**2 > | 554.467837 |
Total Energy= -157.01633682 a.u.
Kinetic Energy= 156.95170339 a.u.
Potential Energy= -313.96804022 a.u.
Virial Ratio = -2.00041180