(1s 2 2s 2 3s 1 ) 2 S S 11+
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 | 11.937791 | .23742494 |
| 2 | 2s | 4.688215 | -1.44647700 |
| 3 | 3s | 4.266432 | 2.01115133 |
| 4 | 4s | 8.959440 | -.07350453 |
| 5 | 5s | 16.438213 | -.01129205 |
| 6 | 4s | 31.557908 | .00063275 |
| 7 | 5s | 3.903473 | -.00327305 |
| 8 | 4s | 2.509667 | .00048333 |
| ORB.ENERGY,a.u. | -9.045800 | ||
| NORM | 1.000000 | < R > | 1.005136 | < R2 > | 1.144215 | < 1/R > | 1.443286 | < 1/R**2 > | 12.494776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.388555 | .40364758 |
| 2 | 2s | 6.555709 | -.81080628 |
| 3 | 3s | 8.572338 | -.29033216 |
| 4 | 5s | 15.340761 | -.01005148 |
| 5 | 4s | 30.046430 | .00353908 |
| 6 | 5s | 42.317301 | -.00065147 |
| 7 | 5s | 15.085444 | -.00219633 |
| 8 | 4s | 4.313194 | -.00125547 |
| ORB.ENERGY,a.u. | -23.034000 | ||
| NORM | 1.000000 | < R > | .416157 | < R2 > | .202404 | < 1/R > | 3.535807 | < 1/R**2 > | 50.381071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.141824 | .93484550 |
| 2 | 1s | 24.006264 | .06385505 |
| 3 | 2s | 16.529243 | .01968625 |
| 4 | 3s | 18.012744 | -.01695867 |
| 5 | 5s | 35.950498 | .00080555 |
| 6 | 4s | 77.618426 | -.00007195 |
| 7 | 5s | 5.982719 | -.00005382 |
| ORB.ENERGY,a.u. | -111.220000 |
| NORM | 1.000000 | < R > | .096162 | < R2 > | .012373 | < 1/R > | 15.668326 | < 1/R**2 > | 493.774700 |
Total Energy= -304.69912538 a.u.
Kinetic Energy= 304.69912311 a.u.
Potential Energy= -609.39824849 a.u.
Virial Ratio = -2.00000001