(1s 2 2s 2 3s 1 ) 2 S C +
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 | 5.308405 | .09522556 |
| 2 | 2s | 1.504794 | -.49514267 |
| 3 | 3s | .920032 | 1.16899540 |
| 4 | 4s | 3.691560 | -.05534449 |
| 5 | 5s | 6.504035 | -.01032570 |
| 6 | 5s | .926280 | .04243422 |
| 7 | 3s | 22.994918 | -.00003983 |
| ORB.ENERGY,a.u. | -.360520 | ||
| NORM | 1.000000 | < R > | 4.260130 | < R2 > | 20.494186 | < 1/R > | .312063 | < 1/R**2 > | .528711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.439165 | .26897921 |
| 2 | 2s | 1.835054 | -.73287016 |
| 3 | 3s | 2.987565 | -.28503398 |
| 4 | 4s | 8.133163 | .01484931 |
| 5 | 5s | 2.739077 | -.04032801 |
| 6 | 3s | 9.537821 | .00431694 |
| 7 | 5s | 34.411954 | -.00004148 |
| 8 | 5s | 1.303993 | -.00398671 |
| ORB.ENERGY,a.u. | -1.381300 | ||
| NORM | 1.000000 | < R > | 1.377308 | < R2 > | 2.235898 | < 1/R > | 1.030963 | < 1/R**2 > | 4.259005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203140 | .71557663 |
| 2 | 1s | 8.164007 | .23021772 |
| 3 | 2s | 6.411967 | .08086355 |
| 4 | 3s | 6.832170 | -.01391738 |
| 5 | 4s | 11.002797 | .00542749 |
| 6 | 5s | 7.401935 | -.00173536 |
| 7 | 3s | 22.779126 | -.00008669 |
| ORB.ENERGY,a.u. | -12.130000 |
| NORM | 1.000000 | < R > | .267448 | < R2 > | .096281 | < 1/R > | 5.676637 | < 1/R**2 > | 65.441934 |
Total Energy= -36.76891899 a.u.
Kinetic Energy= 36.76891988 a.u.
Potential Energy= -73.53783886 a.u.
Virial Ratio = -1.99999998