(1s 2 2s 2 2p 3 ) 2 P Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 7.028928 | 1.19100922 |
| 2 | 3p | 8.394510 | -.20257172 |
| 3 | 2p | 17.904845 | .01612824 |
| 4 | 4p | 18.734207 | .00247422 |
| 5 | 5p | 15.672841 | -.00745116 |
| 6 | 5p | 5.158326 | .00027595 |
| 7 | 4p | 65.967216 | .00003397 |
| ORB.ENERGY,a.u. | -22.044000 | ||
| NORM | 1.000000 | < R > | .339051 | < R2 > | .139919 | < 1/R > | 3.752217 | < 1/R**2 > | 19.187682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.165092 | .42469363 |
| 2 | 2s | 7.868697 | -.86596820 |
| 3 | 3s | 7.809362 | -.28778686 |
| 4 | 4s | 30.567930 | .00183090 |
| 5 | 3s | 16.770925 | .01353882 |
| 6 | 5s | 7.819459 | -.01503160 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .385391 | < R2 > | .174209 | < 1/R > | 3.810351 | < 1/R**2 > | 59.035064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.049596 | .93054262 |
| 2 | 1s | 26.146740 | .06824648 |
| 3 | 2s | 16.255521 | .01971931 |
| 4 | 3s | 21.310149 | -.01447035 |
| 5 | 5s | 43.277911 | .00074908 |
| 6 | 4s | 18.488844 | -.00222376 |
| 7 | 5s | 16.936636 | .00117542 |
| 8 | 3s | 69.801551 | -.00006562 |
| 9 | 4s | 10.149800 | .00023324 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085706 | < R2 > | .009847 | < 1/R > | 17.605126 | < 1/R**2 > | 623.979314 |
Total Energy= -453.18069373 a.u.
Kinetic Energy= 452.41502649 a.u.
Potential Energy= -905.59572022 a.u.
Virial Ratio = -2.00169240