(1s 1 2p 1 ) 1 P Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 7.830956 | .92920706 |
| 2 | 2p | 8.843498 | .07275405 |
| 3 | 2p | 28.767277 | .00136991 |
| 4 | 3p | 12.351543 | .00666019 |
| 5 | 4p | 8.189666 | -.01105788 |
| 6 | 5p | 45.468818 | -.00013164 |
| ORB.ENERGY,a.u. | -32.472000 | ||
| NORM | 1.000000 | < R > | .314057 | < R2 > | .118317 | < 1/R > | 3.979442 | < 1/R**2 > | 21.124472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.779960 | .88941436 |
| 2 | 1s | 19.380568 | .10550266 |
| 3 | 2s | 18.943930 | .00885427 |
| 4 | 3s | 14.735296 | -.00583307 |
| 5 | 4s | 16.888616 | .00100717 |
| 6 | 5s | 19.517292 | .00145624 |
| ORB.ENERGY,a.u. | -140.850000 |
| NORM | 1.000000 | < R > | .088160 | < R2 > | .010360 | < 1/R > | 17.010688 | < 1/R**2 > | 578.604231 |
Total Energy= -176.71723450 a.u.
Kinetic Energy= 176.35384948 a.u.
Potential Energy= -353.07108398 a.u.
Virial Ratio = -2.00206054