(1s 2 2s 2 2p 1 4d 1 ) 3 F Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 3.814099 | 1.25827327 |
| 2 | 4d | 3.257615 | -1.77808158 |
| 3 | 3d | 7.458935 | .03972326 |
| 4 | 5d | 16.438015 | .00375095 |
| 5 | 4d | 22.768163 | .00091568 |
| 6 | 5d | 2.616474 | .02149630 |
| 7 | 3d | 29.764974 | .00014171 |
| 8 | 4d | 2.354594 | -.02219131 |
| ORB.ENERGY,a.u. | -5.437100 | ||
| NORM | 1.000000 | < R > | 1.562901 | < R2 > | 2.794908 | < 1/R > | .846773 | < 1/R**2 > | 1.176592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.657423 | 1.06962736 |
| 2 | 3p | 9.423204 | -.08280047 |
| 3 | 2p | 18.516555 | .01141409 |
| 4 | 5p | 23.026975 | .00252978 |
| 5 | 5p | 5.197997 | -.00171203 |
| 6 | 4p | 6.544705 | .00388967 |
| 7 | 4p | 3.003744 | -.00024226 |
| ORB.ENERGY,a.u. | -26.929000 | ||
| NORM | 1.000000 | < R > | .320681 | < R2 > | .124262 | < 1/R > | 3.933918 | < 1/R**2 > | 20.890575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.379630 | .38998824 |
| 2 | 2s | 7.022521 | -.81677250 |
| 3 | 3s | 10.035665 | -.28708630 |
| 4 | 4s | 33.375884 | .00112010 |
| 5 | 5s | 19.628743 | -.00838773 |
| 6 | 5s | 7.756553 | .01717186 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371796 | < R2 > | .161639 | < 1/R > | 3.959388 | < 1/R**2 > | 63.333247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.203092 | .93903998 |
| 2 | 1s | 26.398940 | .05740953 |
| 3 | 2s | 15.895524 | .02016613 |
| 4 | 3s | 19.388850 | -.01418656 |
| 5 | 4s | 86.786353 | -.00006072 |
| 6 | 5s | 41.418261 | .00061834 |
| 7 | 5s | 10.366563 | .00004468 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646046 | < 1/R**2 > | 626.242646 |
Total Energy= -410.61516543 a.u.
Kinetic Energy= 410.64703624 a.u.
Potential Energy= -821.26220167 a.u.
Virial Ratio = -1.99992239