(1s 2 5p 1 ) 2 P Ar 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 2.216058 | 7.20294286 |
| 2 | 3p | 3.849855 | -7.60515487 |
| 3 | 4p | 2.925816 | 9.45844657 |
| 4 | 5p | 3.104860 | -10.53471031 |
| 5 | 2p | 20.429434 | .00233143 |
| 6 | 5p | 2.411106 | -.21664759 |
| 7 | 5p | 7.642700 | .01734375 |
| 8 | 4p | 1.346808 | .00196102 |
| ORB.ENERGY,a.u. | -5.154500 | ||
| NORM | 1.000002 | < R > | 2.268918 | < R2 > | 5.796614 | < 1/R > | .644710 | < 1/R**2 > | 1.407077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.379157 | .93935514 |
| 2 | 1s | 27.353191 | .04819886 |
| 3 | 2s | 21.817656 | .01731581 |
| 4 | 3s | 16.981297 | .00012078 |
| 5 | 4s | 36.778208 | -.00047193 |
| 6 | 5s | 43.325013 | .00026328 |
| 7 | 3s | 49.091639 | -.00036354 |
| ORB.ENERGY,a.u. | -150.760000 |
| NORM | 1.000000 | < R > | .085119 | < R2 > | .009686 | < 1/R > | 17.686119 | < 1/R**2 > | 628.551389 |
Total Energy= -318.00828332 a.u.
Kinetic Energy= 318.00848896 a.u.
Potential Energy= -636.01677228 a.u.
Virial Ratio = -1.99999935