(1s 2 2s 2 4d 1 ) 2 D Ar 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 3.663741 | 1.74283072 |
| 2 | 4d | 3.534155 | -2.30323478 |
| 3 | 3d | 9.083451 | .02568836 |
| 4 | 4d | 6.773973 | .03130084 |
| 5 | 5d | 28.660096 | -.00021952 |
| 6 | 5d | 2.263766 | -.00027374 |
| ORB.ENERGY,a.u. | -6.226800 | ||
| NORM | 1.000000 | < R > | 1.471951 | < R2 > | 2.478784 | < 1/R > | .896704 | < 1/R**2 > | 1.306187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.948952 | .41495435 |
| 2 | 2s | 7.506511 | -.82015824 |
| 3 | 3s | 9.654419 | -.29018812 |
| 4 | 5s | 18.038217 | -.01328337 |
| 5 | 4s | 35.737592 | .00195293 |
| 6 | 5s | 53.055558 | -.00028316 |
| 7 | 5s | 7.673521 | .00352324 |
| ORB.ENERGY,a.u. | -30.353000 | ||
| NORM | 1.000000 | < R > | .365078 | < R2 > | .155635 | < 1/R > | 4.037839 | < 1/R**2 > | 65.641192 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.082408 | .93419838 |
| 2 | 1s | 26.776680 | .06440310 |
| 3 | 2s | 18.875708 | .01964996 |
| 4 | 3s | 20.505607 | -.01683034 |
| 5 | 5s | 41.466062 | .00081804 |
| 6 | 4s | 93.622165 | -.00004556 |
| 7 | 5s | 20.586462 | -.00051149 |
| ORB.ENERGY,a.u. | -143.770000 |
| NORM | 1.000000 | < R > | .085222 | < R2 > | .009714 | < 1/R > | 17.670012 | < 1/R**2 > | 627.574608 |
Total Energy= -383.76551851 a.u.
Kinetic Energy= 383.75949415 a.u.
Potential Energy= -767.52501266 a.u.
Virial Ratio = -2.00001570