(1s 1 2p 1 ) 3 P Cl 15+
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 | 8.047100 | .97887389 |
| 2 | 2p | 14.989532 | .01063619 |
| 3 | 2p | 16.159345 | .00541240 |
| 4 | 3p | 10.444533 | .01241746 |
| 5 | 4p | 10.426140 | -.00369405 |
| 6 | 5p | 32.310482 | -.00040463 |
| ORB.ENERGY,a.u. | -32.977000 | ||
| NORM | 1.000000 | < R > | .308214 | < R2 > | .114202 | < 1/R > | 4.066468 | < 1/R**2 > | 22.136585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.733630 | .92903692 |
| 2 | 1s | 20.983173 | .06593447 |
| 3 | 2s | 17.634615 | .01110010 |
| 4 | 3s | 20.573267 | -.00492186 |
| 5 | 5s | 14.824429 | .00047695 |
| 6 | 2s | 63.709862 | -.00000438 |
| ORB.ENERGY,a.u. | -141.350000 |
| NORM | 1.000000 | < R > | .088560 | < R2 > | .010471 | < 1/R > | 16.957724 | < 1/R**2 > | 575.714046 |
Total Energy= -176.72635127 a.u.
Kinetic Energy= 176.85681461 a.u.
Potential Energy= -353.58316589 a.u.
Virial Ratio = -1.99926232