(1s 2 2s 2 2p 5 5d 1 ) 3 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 2.431518 | 1.24987093 |
| 2 | 4d | 1.898706 | -4.39445332 |
| 3 | 5d | 1.813165 | 3.87087751 |
| 4 | 3d | 5.590787 | .06886538 |
| 5 | 5d | 8.296850 | -.01713177 |
| 6 | 4d | 15.970905 | .00140061 |
| 7 | 5d | 1.537797 | -.03473675 |
| 8 | 3d | 22.526883 | .00023189 |
| ORB.ENERGY,a.u. | -1.669700 | ||
| NORM | .999997 | < R > | 3.701316 | < R2 > | 15.577521 | < 1/R > | .380730 | < 1/R**2 > | .311455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.398298 | 1.16990948 |
| 2 | 3p | 7.560542 | -.23178748 |
| 3 | 2p | 13.920352 | .06196568 |
| 4 | 4p | 16.942742 | .00828174 |
| 5 | 5p | 5.445874 | .00043845 |
| 6 | 5p | 41.996268 | -.00014055 |
| ORB.ENERGY,a.u. | -17.168000 | ||
| NORM | 1.000000 | < R > | .358929 | < R2 > | .158010 | < 1/R > | 3.575940 | < 1/R**2 > | 17.600599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.349106 | .39982744 |
| 2 | 2s | 7.678469 | -.84629022 |
| 3 | 3s | 7.012727 | -.30604736 |
| 4 | 4s | 19.229553 | .00516903 |
| 5 | 3s | 21.894428 | .00677704 |
| 6 | 5s | 37.382331 | .00048125 |
| 7 | 5s | 5.858059 | -.00289939 |
| 8 | 4s | 3.848157 | .00139002 |
| 9 | 3s | 2.687023 | -.00054488 |
| 10 | 2s | 75.039836 | .00001780 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400735 | < R2 > | .189140 | < 1/R > | 3.657101 | < 1/R**2 > | 54.733839 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052665 |
| 2 | 1s | 25.173117 | .06483014 |
| 3 | 2s | 10.851868 | .02186010 |
| 4 | 3s | 13.389140 | -.02197399 |
| 5 | 4s | 16.616715 | .01065873 |
| 6 | 5s | 42.855037 | .00068694 |
| 7 | 4s | 99.290142 | -.00003350 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572634 | < 1/R**2 > | 622.195917 |
Total Energy= -492.15680220 a.u.
Kinetic Energy= 492.14907746 a.u.
Potential Energy= -984.30587966 a.u.
Virial Ratio = -2.00001570