(1s 2 2s 2 2p 1 5p 1 ) 3 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 6.025046 | .38583418 |
| 2 | 3p | 2.938791 | -3.69904512 |
| 3 | 4p | 2.666998 | 9.98012389 |
| 4 | 5p | 2.677152 | -7.13265954 |
| 5 | 2p | 12.002902 | .02241079 |
| 6 | 5p | 5.060789 | -.18166750 |
| 7 | 5p | 40.411028 | -.00037824 |
| 8 | 4p | 62.516512 | -.00005968 |
| 9 | 4p | 1.207686 | .00032665 |
| ORB.ENERGY,a.u. | -3.563100 | ||
| NORM | 1.000001 | < R > | 2.667433 | < R2 > | 8.002898 | < 1/R > | .543154 | < 1/R**2 > | 1.020966 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.628876 | 1.08043101 |
| 2 | 3p | 9.129280 | -.09258456 |
| 3 | 2p | 18.580587 | .01163742 |
| 4 | 5p | 23.152919 | .00231151 |
| 5 | 5p | 6.636148 | .00029724 |
| ORB.ENERGY,a.u. | -27.223000 | ||
| NORM | 1.000000 | < R > | .319982 | < R2 > | .123730 | < 1/R > | 3.941940 | < 1/R**2 > | 20.969217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.374142 | .39047316 |
| 2 | 2s | 7.027713 | -.81733318 |
| 3 | 3s | 10.041269 | -.28737272 |
| 4 | 4s | 33.358212 | .00121478 |
| 5 | 5s | 19.392591 | -.00812621 |
| 6 | 5s | 7.768544 | .01767698 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371550 | < R2 > | .161406 | < 1/R > | 3.962146 | < 1/R**2 > | 63.417133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.201474 | .93937883 |
| 2 | 1s | 26.462408 | .05706576 |
| 3 | 2s | 16.036221 | .02009960 |
| 4 | 3s | 19.558113 | -.01411928 |
| 5 | 4s | 87.626139 | -.00005883 |
| 6 | 5s | 41.296071 | .00064365 |
| 7 | 5s | 10.146321 | .00003627 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085405 | < R2 > | .009764 | < 1/R > | 17.645066 | < 1/R**2 > | 626.186028 |
Total Energy= -408.75797911 a.u.
Kinetic Energy= 408.77104853 a.u.
Potential Energy= -817.52902764 a.u.
Virial Ratio = -1.99996803