(1s 1 4s 1 ) 1 S Ar 16+
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 | 2.775512 | 1.11889074 |
| 2 | 2s | 5.700502 | -2.74344959 |
| 3 | 3s | 4.170407 | 5.59727325 |
| 4 | 4s | 4.211851 | -5.17000563 |
| 5 | 5s | 12.286569 | .04524488 |
| 6 | 2s | 10.428797 | .21749863 |
| 7 | 4s | 14.310590 | .01065525 |
| 8 | 5s | 47.168241 | .00019810 |
| 9 | 5s | 2.237666 | -.00075072 |
| ORB.ENERGY,a.u. | -9.848600 | ||
| NORM | 1.000000 | < R > | 1.395854 | < R2 > | 2.193720 | < 1/R > | .989585 | < 1/R**2 > | 4.031717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 18.018319 | 1.00309721 |
| 2 | 2s | 3.235713 | .12840847 |
| 3 | 3s | 9.110554 | -.08400414 |
| 4 | 4s | 11.659246 | .02018715 |
| 5 | 5s | 4.444601 | -.11567915 |
| 6 | 5s | 26.413278 | -.00011235 |
| 7 | 4s | 2.579566 | -.00105095 |
| ORB.ENERGY,a.u. | -161.720000 |
| NORM | 1.000000 | < R > | .085500 | < R2 > | .013994 | < 1/R > | 18.078190 | < 1/R**2 > | 653.084367 |
Total Energy= -171.14288611 a.u.
Kinetic Energy= 171.12018840 a.u.
Potential Energy= -342.26307450 a.u.
Virial Ratio = -2.00013264