(1s 1 4s 1 ) 3 S Ar 16+
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 | 10.123899 | .27869434 |
| 2 | 2s | 5.631918 | -1.62871573 |
| 3 | 3s | 4.013639 | 6.16763425 |
| 4 | 4s | 4.214858 | -5.78777182 |
| 5 | 5s | 6.102002 | .27909887 |
| 6 | 4s | 10.562119 | -.05329904 |
| 7 | 5s | 67.069202 | -.00004215 |
| ORB.ENERGY,a.u. | -9.880300 | ||
| NORM | 1.000000 | < R > | 1.393694 | < R2 > | 2.184968 | < 1/R > | 1.069189 | < 1/R**2 > | 9.065261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.775174 | .88944974 |
| 2 | 1s | 20.408341 | .10536514 |
| 3 | 2s | 17.965295 | .01065289 |
| 4 | 3s | 18.658003 | -.00522628 |
| 5 | 4s | 15.766893 | -.00002158 |
| 6 | 5s | 22.689114 | .00017967 |
| ORB.ENERGY,a.u. | -161.760000 |
| NORM | 1.000000 | < R > | .083332 | < R2 > | .009259 | < 1/R > | 18.000519 | < 1/R**2 > | 648.039789 |
Total Energy= -171.13174854 a.u.
Kinetic Energy= 171.15096394 a.u.
Potential Energy= -342.28271248 a.u.
Virial Ratio = -1.99988773