(1s 2 3p 1 ) 2 P Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 6.739341 | .86188905 |
| 2 | 3p | 4.907085 | -1.58126547 |
| 3 | 4p | 7.719455 | .18142169 |
| 4 | 5p | 13.884085 | .01573457 |
| 5 | 4p | 32.068545 | -.00244806 |
| 6 | 5p | 42.052045 | .00076481 |
| 7 | 5p | 4.566747 | .00655297 |
| 8 | 3p | 71.342948 | -.00002875 |
| ORB.ENERGY,a.u. | -12.639000 | ||
| NORM | 1.000000 | < R > | .824911 | < R2 > | .784279 | < 1/R > | 1.689259 | < 1/R**2 > | 5.778125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.388712 | .93854340 |
| 2 | 1s | 25.580886 | .04968330 |
| 3 | 2s | 19.745408 | .01708845 |
| 4 | 3s | 17.846423 | .00096982 |
| 5 | 4s | 25.656322 | -.00170258 |
| 6 | 5s | 31.954819 | .00049270 |
| 7 | 3s | 43.210128 | -.00055531 |
| 8 | 5s | 8.573233 | -.00007913 |
| ORB.ENERGY,a.u. | -132.710000 |
| NORM | 1.000000 | < R > | .090281 | < R2 > | .010900 | < 1/R > | 16.680700 | < 1/R**2 > | 559.350993 |
Total Energy= -291.10339167 a.u.
Kinetic Energy= 291.10339604 a.u.
Potential Energy= -582.20678771 a.u.
Virial Ratio = -1.99999998