(1s 2 2s 1 4s 1 ) 3 S S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 11.427539 | .17029536 |
| 2 | 2s | 3.848791 | -1.79118208 |
| 3 | 3s | 3.413528 | 5.11279338 |
| 4 | 4s | 3.350372 | -4.22538809 |
| 5 | 5s | 5.519595 | .16415153 |
| 6 | 4s | 10.190400 | -.05123783 |
| 7 | 5s | 30.531607 | .00114920 |
| 8 | 4s | 41.732899 | .00023122 |
| 9 | 5s | 1.623754 | .00015567 |
| ORB.ENERGY,a.u. | -5.607700 | ||
| NORM | .999999 | < R > | 1.746712 | < R2 > | 3.427870 | < 1/R > | .839849 | < 1/R**2 > | 5.606179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.049671 | .43163603 |
| 2 | 2s | 6.964058 | -.81129863 |
| 3 | 3s | 8.303660 | -.30371354 |
| 4 | 5s | 14.408874 | -.02284503 |
| 5 | 4s | 28.511402 | .00506539 |
| 6 | 5s | 37.691863 | -.00123855 |
| 7 | 4s | 98.520033 | .00001692 |
| ORB.ENERGY,a.u. | -25.286000 | ||
| NORM | 1.000000 | < R > | .407138 | < R2 > | .193345 | < 1/R > | 3.628693 | < 1/R**2 > | 53.064161 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.409521 | .93823581 |
| 2 | 1s | 24.083610 | .04960034 |
| 3 | 2s | 18.181440 | .01680065 |
| 4 | 3s | 3.227082 | .00160515 |
| 5 | 4s | 65.770441 | -.00040211 |
| 6 | 5s | 88.285888 | .00014585 |
| 7 | 5s | 15.292801 | .00097314 |
| 8 | 4s | 4.233562 | -.00144723 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096134 | < R2 > | .012368 | < 1/R > | 15.673219 | < 1/R**2 > | 494.065748 |
Total Energy= -277.57160514 a.u.
Kinetic Energy= 277.58724499 a.u.
Potential Energy= -555.15885013 a.u.
Virial Ratio = -1.99994366