(1s 2 2s 2 2p 6 3s 2 3p 2 ) 1 S Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 5.827252 | .36879388 |
| 2 | 2p | 2.425198 | -.30464018 |
| 3 | 3p | 2.632015 | -.68409519 |
| 4 | 2p | 10.952995 | .07153800 |
| 5 | 3p | 20.803271 | -.00127254 |
| 6 | 4p | 2.349593 | -.10235003 |
| 7 | 5p | 5.528966 | -.03518602 |
| 8 | 4p | 69.933820 | .00000976 |
| ORB.ENERGY,a.u. | -2.512000 | ||
| NORM | 1.000000 | < R > | 1.362042 | < R2 > | 2.145617 | < 1/R > | .989859 | < 1/R**2 > | 2.163700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.380792 | -.51141991 |
| 2 | 1s | 13.438231 | .19069791 |
| 3 | 2s | 6.356219 | -.23132888 |
| 4 | 3s | 3.030437 | 1.19135643 |
| 5 | 4s | 5.207207 | .15887809 |
| 6 | 3s | 19.886980 | .00342818 |
| 7 | 5s | 2.861827 | .06418441 |
| 8 | 4s | 60.496240 | -.00005646 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.266516 | < R2 > | 1.827111 | < 1/R > | 1.081965 | < 1/R**2 > | 6.908054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.440884 | .43372499 |
| 2 | 3p | 8.303312 | .49476487 |
| 3 | 5p | 5.855757 | .01598487 |
| 4 | 4p | 6.959301 | .15848443 |
| 5 | 2p | 23.769944 | .00204092 |
| 6 | 5p | 41.379803 | -.00015022 |
| 7 | 3p | 2.608667 | .00263024 |
| 8 | 4p | 119.207893 | .00000194 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374601 | < R2 > | .173637 | < 1/R > | 3.455788 | < 1/R**2 > | 16.575648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.400657 | .38815999 |
| 2 | 2s | 7.569718 | -.83362539 |
| 3 | 3s | 6.851787 | -.29835688 |
| 4 | 4s | 29.028308 | .00257443 |
| 5 | 3s | 15.599915 | .00811692 |
| 6 | 4s | 5.751954 | -.02224175 |
| 7 | 5s | 3.089927 | -.00022348 |
| 8 | 5s | 60.804331 | .00003467 |
| 9 | 2s | 47.960802 | -.00005269 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410633 | < R2 > | .199394 | < 1/R > | 3.568624 | < 1/R**2 > | 52.332886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585250 | 1.00957272 |
| 2 | 2s | 22.973258 | -.01620926 |
| 3 | 3s | 15.881950 | .01523418 |
| 4 | 4s | 33.095528 | -.00071616 |
| 5 | 4s | 11.963969 | .00372378 |
| 6 | 5s | 43.733992 | .00038207 |
| 7 | 5s | 14.124123 | -.00252110 |
| 8 | 2s | 31.035036 | -.00305637 |
| 9 | 2s | 64.229199 | .00011849 |
| 10 | 5s | 4.581314 | -.00001498 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086083 | < R2 > | .009954 | < 1/R > | 17.555904 | < 1/R**2 > | 621.271934 |
Total Energy= -521.70777515 a.u.
Kinetic Energy= 521.50461027 a.u.
Potential Energy= -1043.21238542 a.u.
Virial Ratio = -2.00038957