(1s 2 2s 1 4s 1 ) 1 S S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 10.246076 | .12568772 |
| 2 | 2s | 3.638167 | -1.62548185 |
| 3 | 3s | 3.443489 | 4.72515332 |
| 4 | 4s | 3.331288 | -3.90512502 |
| 5 | 5s | 5.192071 | .24833331 |
| 6 | 4s | 8.715565 | -.08738478 |
| 7 | 5s | 34.498638 | .00069237 |
| 8 | 4s | 49.398948 | .00010487 |
| 9 | 5s | 1.541711 | .00017646 |
| ORB.ENERGY,a.u. | -5.577600 | ||
| NORM | 1.000002 | < R > | 1.750467 | < R2 > | 3.429714 | < 1/R > | .740866 | < 1/R**2 > | 2.540021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.317243 | .34963857 |
| 2 | 2s | 3.964077 | -.84349951 |
| 3 | 3s | 9.438228 | -.64324023 |
| 4 | 4s | 5.342276 | .56890226 |
| 5 | 5s | 3.185578 | -.18315324 |
| 6 | 5s | 21.200201 | -.00725369 |
| 7 | 4s | 30.085004 | -.00090273 |
| 8 | 4s | 2.323619 | .06176128 |
| 9 | 2s | 52.900792 | .00007982 |
| 10 | 5s | 1.906055 | -.00986070 |
| 11 | 3s | 1.103987 | .00230180 |
| ORB.ENERGY,a.u. | -25.256000 | ||
| NORM | 1.000000 | < R > | .410943 | < R2 > | .221311 | < 1/R > | 3.723437 | < 1/R**2 > | 56.024986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.408561 | .93945012 |
| 2 | 1s | 24.577190 | .04758109 |
| 3 | 2s | 19.238004 | .01694390 |
| 4 | 3s | 12.348531 | .00175062 |
| 5 | 4s | 63.029794 | -.00046378 |
| 6 | 5s | 83.617381 | .00017092 |
| 7 | 5s | 6.730369 | .00039610 |
| 8 | 4s | 2.832602 | -.00033539 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096126 | < R2 > | .012365 | < 1/R > | 15.674129 | < 1/R**2 > | 494.109837 |
Total Energy= -277.57934071 a.u.
Kinetic Energy= 277.55736088 a.u.
Potential Energy= -555.13670159 a.u.
Virial Ratio = -2.00007919