(1s 1 5s 1 ) 3 S C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5.644233 | .08004795 |
| 2 | 2s | 1.262793 | -2.43055670 |
| 3 | 3s | 1.281403 | 5.67675435 |
| 4 | 4s | .921463 | -14.89631786 |
| 5 | 5s | .983494 | 12.37744614 |
| 6 | 2s | 4.172170 | .10341010 |
| 7 | 5s | 3.036720 | -.04211733 |
| 8 | 3s | 1.072088 | .22659017 |
| 9 | 4s | 14.441075 | -.00026353 |
| 10 | 3s | .342423 | .00195523 |
| ORB.ENERGY,a.u. | -.525620 | ||
| NORM | 1.000025 | < R > | 7.258577 | < R2 > | 59.000992 | < 1/R > | .203407 | < 1/R**2 > | .399721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.893147 | .75794356 |
| 2 | 1s | 6.102332 | .25569456 |
| 3 | 2s | 5.926076 | -.01545027 |
| 4 | 3s | 7.195128 | -.00029921 |
| ORB.ENERGY,a.u. | -17.806000 |
| NORM | 1.000000 | < R > | .249995 | < R2 > | .083333 | < 1/R > | 6.000227 | < 1/R**2 > | 72.005627 |
Total Energy= -18.51427849 a.u.
Kinetic Energy= 18.51683392 a.u.
Potential Energy= -37.03111241 a.u.
Virial Ratio = -1.99986199