(1s 2 5s 1 ) 2 S N 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 3.003083 | .15371525 |
| 2 | 2s | 1.268024 | -2.53816747 |
| 3 | 3s | 1.141190 | 9.52154922 |
| 4 | 4s | 1.154283 | -10.64392969 |
| 5 | 5s | .996855 | 4.00908223 |
| 6 | 5s | 2.317783 | -.07822994 |
| 7 | 1s | 8.441829 | .01552168 |
| 8 | 4s | 26.418178 | -.00006621 |
| 9 | 4s | .581928 | -.02227265 |
| 10 | 5s | .463140 | .00259244 |
| ORB.ENERGY,a.u. | -.526720 | ||
| NORM | .999998 | < R > | 7.124611 | < R2 > | 56.852105 | < 1/R > | .206842 | < 1/R**2 > | .426992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.262574 | .70799221 |
| 2 | 1s | 9.244252 | .23306368 |
| 3 | 2s | 7.095871 | .08407651 |
| 4 | 3s | 7.294666 | -.01437991 |
| 5 | 4s | 12.593635 | .00509853 |
| 6 | 4s | 41.632620 | -.00003097 |
| 7 | 5s | 7.043297 | -.00055341 |
| ORB.ENERGY,a.u. | -20.030000 |
| NORM | 1.000000 | < R > | .226490 | < R2 > | .068899 | < 1/R > | 6.687071 | < 1/R**2 > | 90.559282 |
Total Energy= -45.26272434 a.u.
Kinetic Energy= 45.26272835 a.u.
Potential Energy= -90.52545269 a.u.
Virial Ratio = -1.99999991