(1s 2 2p 1 ) 2 P Cl 14+
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 | 7.539442 | .96968309 |
| 2 | 2p | 14.415150 | .01634862 |
| 3 | 2p | 20.487814 | .00468053 |
| 4 | 3p | 11.496171 | .01655319 |
| 5 | 4p | 7.566509 | -.00167810 |
| 6 | 5p | 38.422182 | -.00019968 |
| ORB.ENERGY,a.u. | -28.575000 | ||
| NORM | 1.000000 | < R > | .327347 | < R2 > | .128922 | < 1/R > | 3.834106 | < 1/R**2 > | 19.729286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395727 | .94000022 |
| 2 | 1s | 26.297352 | .04611816 |
| 3 | 2s | 21.707742 | .01562849 |
| 4 | 3s | 16.316727 | .00446192 |
| 5 | 4s | 61.786436 | -.00054755 |
| 6 | 5s | 80.286764 | .00021664 |
| 7 | 5s | 12.275537 | .00011901 |
| ORB.ENERGY,a.u. | -130.570000 |
| NORM | 1.000000 | < R > | .090447 | < R2 > | .010949 | < 1/R > | 16.660973 | < 1/R**2 > | 558.319562 |
Total Energy= -307.01126417 a.u.
Kinetic Energy= 307.01126056 a.u.
Potential Energy= -614.02252473 a.u.
Virial Ratio = -2.00000001