(1s 2 2s 2 2p 4 ) 3 P Ar 10+
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 | 7.028348 | 1.31381501 |
| 2 | 3p | 9.089019 | -.37517518 |
| 3 | 4p | 11.205934 | .05743526 |
| 4 | 5p | 6.085272 | .01070547 |
| 5 | 4p | 29.083746 | -.00150058 |
| 6 | 3p | 34.122542 | -.00036383 |
| 7 | 4p | 5.088249 | -.00627950 |
| ORB.ENERGY,a.u. | -19.752000 | ||
| NORM | 1.000000 | < R > | .347675 | < R2 > | .147557 | < 1/R > | 3.671593 | < 1/R**2 > | 18.443643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.097700 | .41912164 |
| 2 | 2s | 7.788063 | -.88605777 |
| 3 | 3s | 7.151641 | -.27486471 |
| 4 | 4s | 30.444234 | .00174123 |
| 5 | 3s | 16.825279 | .01398919 |
| 6 | 5s | 11.407940 | -.00817457 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .392898 | < R2 > | .181408 | < 1/R > | 3.733384 | < 1/R**2 > | 56.858237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.176708 | .94834671 |
| 2 | 1s | 27.262334 | .04957719 |
| 3 | 2s | 15.273614 | .01848662 |
| 4 | 3s | 22.222590 | -.01440502 |
| 5 | 4s | 34.136401 | .00225151 |
| 6 | 5s | 62.165040 | .00003774 |
| 7 | 5s | 13.353948 | .00076846 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085840 | < R2 > | .009885 | < 1/R > | 17.587511 | < 1/R**2 > | 623.010747 |
Total Energy= -472.91531984 a.u.
Kinetic Energy= 472.91532235 a.u.
Potential Energy= -945.83064219 a.u.
Virial Ratio = -1.99999999