(1s 2 2s 1 2p 1 ) 3 P Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 7.879080 | .91912494 |
| 2 | 2p | 10.703762 | .05280820 |
| 3 | 2p | 19.976828 | .00880810 |
| 4 | 3p | 8.211842 | .03478596 |
| 5 | 4p | 9.477714 | -.00767003 |
| 6 | 5p | 41.445010 | -.00018863 |
| ORB.ENERGY,a.u. | -30.325000 | ||
| NORM | 1.000000 | < R > | .313536 | < R2 > | .118413 | < 1/R > | 4.008772 | < 1/R**2 > | 21.606168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.777173 | .42462966 |
| 2 | 2s | 7.709059 | -.81484765 |
| 3 | 3s | 9.398334 | -.29873485 |
| 4 | 5s | 16.691444 | -.01723442 |
| 5 | 4s | 33.755820 | .00259074 |
| 6 | 5s | 47.943636 | -.00044878 |
| ORB.ENERGY,a.u. | -31.577000 | ||
| NORM | 1.000000 | < R > | .363906 | < R2 > | .154561 | < 1/R > | 4.055772 | < 1/R**2 > | 66.317326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.356045 | .93782301 |
| 2 | 1s | 27.442110 | .04882311 |
| 3 | 2s | 22.056105 | .01688132 |
| 4 | 3s | 19.207224 | .00095781 |
| 5 | 4s | 66.332385 | -.00052338 |
| 6 | 5s | 86.294973 | .00020586 |
| 7 | 5s | 20.712651 | .00152794 |
| 8 | 4s | 7.981311 | -.00006276 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085334 | < R2 > | .009744 | < 1/R > | 17.655309 | < 1/R**2 > | 626.787526 |
Total Energy= -376.46691684 a.u.
Kinetic Energy= 376.71735423 a.u.
Potential Energy= -753.18427107 a.u.
Virial Ratio = -1.99933521