(1s 2 2s 2 2p 1 4d 1 ) 3 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 3.750988 | 1.33781593 |
| 2 | 4d | 3.245880 | -1.84679307 |
| 3 | 3d | 7.835654 | .03297122 |
| 4 | 5d | 11.210922 | -.00434899 |
| 5 | 4d | 38.618197 | .00006209 |
| 6 | 5d | 2.684397 | .00492131 |
| 7 | 3d | 60.335602 | .00000473 |
| ORB.ENERGY,a.u. | -5.396400 | ||
| NORM | 1.000000 | < R > | 1.575453 | < R2 > | 2.841691 | < 1/R > | .839848 | < 1/R**2 > | 1.151348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.610617 | 1.08257719 |
| 2 | 3p | 9.066952 | -.09520456 |
| 3 | 2p | 18.485993 | .01204454 |
| 4 | 5p | 23.319144 | .00224140 |
| 5 | 5p | 4.899294 | .00087123 |
| ORB.ENERGY,a.u. | -26.888000 | ||
| NORM | 1.000000 | < R > | .320434 | < R2 > | .124121 | < 1/R > | 3.937428 | < 1/R**2 > | 20.926310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.379283 | .39000747 |
| 2 | 2s | 7.022775 | -.81677686 |
| 3 | 3s | 10.038214 | -.28708962 |
| 4 | 4s | 33.346636 | .00113878 |
| 5 | 5s | 19.606054 | -.00832400 |
| 6 | 5s | 7.750433 | .01707341 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371794 | < R2 > | .161637 | < 1/R > | 3.959437 | < 1/R**2 > | 63.335081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.203039 | .93906427 |
| 2 | 1s | 26.402542 | .05738604 |
| 3 | 2s | 15.901629 | .02016362 |
| 4 | 3s | 19.395631 | -.01418433 |
| 5 | 4s | 86.768800 | -.00006080 |
| 6 | 5s | 41.411874 | .00061818 |
| 7 | 5s | 10.366812 | .00004489 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646004 | < 1/R**2 > | 626.240209 |
Total Energy= -410.61536074 a.u.
Kinetic Energy= 410.60641665 a.u.
Potential Energy= -821.22177739 a.u.
Virial Ratio = -2.00002178