(1s 2 5s 1 ) 2 S C 3+
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 | 2.982168 | .11561929 |
| 2 | 2s | 1.016662 | -2.29995443 |
| 3 | 3s | .938476 | 8.20258455 |
| 4 | 4s | .926699 | -9.51634741 |
| 5 | 5s | .804682 | 4.03861814 |
| 6 | 5s | 1.698830 | -.02924117 |
| 7 | 1s | 7.517769 | .01347740 |
| 8 | 4s | 19.923293 | -.00007894 |
| 9 | 4s | .559110 | -.03784433 |
| ORB.ENERGY,a.u. | -.340650 | ||
| NORM | 1.000007 | < R > | 8.812804 | < R2 > | 86.988180 | < 1/R > | .166682 | < 1/R**2 > | .276286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.227547 | .71483251 |
| 2 | 1s | 8.144951 | .22998272 |
| 3 | 2s | 6.411225 | .08061217 |
| 4 | 3s | 6.538088 | -.01355408 |
| 5 | 4s | 10.660156 | .00538468 |
| 6 | 5s | 40.863132 | -.00003742 |
| 7 | 5s | 6.079457 | -.00135270 |
| ORB.ENERGY,a.u. | -14.189000 |
| NORM | 1.000000 | < R > | .266782 | < R2 > | .095722 | < 1/R > | 5.687117 | < 1/R**2 > | 65.646973 |
Total Energy= -32.70177420 a.u.
Kinetic Energy= 32.70176844 a.u.
Potential Energy= -65.40354264 a.u.
Virial Ratio = -2.00000018