(1s 1 5s 1 ) 3 S Ar 16+
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 | 12.307576 | .14851121 |
| 2 | 2s | 4.971931 | -2.05780493 |
| 3 | 3s | 3.738469 | 8.03295931 |
| 4 | 4s | 3.162393 | -20.38304515 |
| 5 | 5s | 3.341130 | 15.03264796 |
| 6 | 2s | 9.000391 | .20658578 |
| 7 | 5s | 29.619416 | .00071153 |
| 8 | 4s | 1.660353 | .00732303 |
| 9 | 4s | 43.016379 | .00007451 |
| 10 | 5s | 1.427993 | -.00155821 |
| ORB.ENERGY,a.u. | -6.555700 | ||
| NORM | 1.000000 | < R > | 2.183274 | < R2 > | 5.338397 | < 1/R > | .683415 | < 1/R**2 > | 4.625733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 2s | 17.933086 | .01065324 |
| 2 | 3s | 18.717469 | -.00514981 |
| 3 | 4s | 16.590298 | -.00004664 |
| 4 | 5s | 23.036187 | .00008342 |
| 5 | 1s | 17.774740 | .88945830 |
| 6 | 1s | 20.407594 | .10537261 |
| ORB.ENERGY,a.u. | -162.080000 |
| NORM | 1.000000 | < R > | .083333 | < R2 > | .009259 | < 1/R > | 18.000238 | < 1/R**2 > | 648.018856 |
Total Energy= -167.83102100 a.u.
Kinetic Energy= 167.84060538 a.u.
Potential Energy= -335.67162637 a.u.
Virial Ratio = -1.99994290