(1s 2 2s 2 4p 1 ) 2 P Ar 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 7.717748 | .41912861 |
| 2 | 3p | 3.846587 | -1.12788093 |
| 3 | 5p | 3.869966 | 1.58278490 |
| 4 | 4p | 5.758685 | -.30723314 |
| 5 | 5p | 9.626777 | .05318540 |
| 6 | 4p | 21.833457 | -.00458816 |
| 7 | 5p | 47.907988 | -.00061358 |
| 8 | 4p | 2.997939 | .12864499 |
| 9 | 4p | 72.941125 | -.00012377 |
| 10 | 5p | 1.569701 | -.00029823 |
| ORB.ENERGY,a.u. | -6.402800 | ||
| NORM | 1.000000 | < R > | 1.573319 | < R2 > | 2.806298 | < 1/R > | .914443 | < 1/R**2 > | 2.313906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.932892 | .41558100 |
| 2 | 2s | 7.521167 | -.82000158 |
| 3 | 3s | 9.669374 | -.29064301 |
| 4 | 5s | 17.632057 | -.01242769 |
| 5 | 4s | 34.781114 | .00247598 |
| 6 | 5s | 50.277849 | -.00040222 |
| 7 | 5s | 6.518297 | .00179772 |
| ORB.ENERGY,a.u. | -32.945000 | ||
| NORM | 1.000000 | < R > | .365120 | < R2 > | .155667 | < 1/R > | 4.037370 | < 1/R**2 > | 65.630322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.083415 | .93388730 |
| 2 | 1s | 26.736556 | .06460392 |
| 3 | 2s | 18.811145 | .01954748 |
| 4 | 3s | 20.269253 | -.01684374 |
| 5 | 5s | 40.493957 | .00078346 |
| 6 | 4s | 89.569685 | -.00005716 |
| 7 | 5s | 15.970788 | -.00014266 |
| ORB.ENERGY,a.u. | -143.810000 |
| NORM | 1.000000 | < R > | .085236 | < R2 > | .009718 | < 1/R > | 17.667888 | < 1/R**2 > | 627.452682 |
Total Energy= -383.92952661 a.u.
Kinetic Energy= 383.92952615 a.u.
Potential Energy= -767.85905276 a.u.
Virial Ratio = -2.00000000