(1s 2 2s 2 2p 5 3s 1 ) 1 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 13.827531 | .14797140 |
| 2 | 2s | 5.202705 | -.68269751 |
| 3 | 3s | 3.259517 | 1.30342311 |
| 4 | 4s | 14.611382 | -.01209142 |
| 5 | 5s | 6.216216 | -.03158787 |
| 6 | 5s | 67.755390 | -.00003997 |
| 7 | 3s | 25.930392 | .00029568 |
| 8 | 2s | 99.127741 | .00000426 |
| ORB.ENERGY,a.u. | -5.048400 | ||
| NORM | 1.000000 | < R > | 1.214758 | < R2 > | 1.664059 | < 1/R > | 1.128017 | < 1/R**2 > | 7.427167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.828673 | 1.19821864 |
| 2 | 3p | 6.825476 | -.26728221 |
| 3 | 2p | 13.003288 | .06803748 |
| 4 | 4p | 16.032851 | .00910265 |
| 5 | 5p | 4.657511 | .00097822 |
| 6 | 5p | 38.512355 | -.00015648 |
| ORB.ENERGY,a.u. | -13.725000 | ||
| NORM | 1.000000 | < R > | .388229 | < R2 > | .185342 | < 1/R > | 3.315517 | < 1/R**2 > | 15.178118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.934096 | .34183448 |
| 2 | 2s | 6.058825 | -.78289968 |
| 3 | 3s | 9.726982 | -.22788430 |
| 4 | 4s | 7.780065 | -.06734608 |
| 5 | 5s | 20.517524 | -.00722957 |
| 6 | 5s | 4.028658 | .00553705 |
| 7 | 4s | 71.268564 | -.00003287 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .427719 | < R2 > | .215296 | < 1/R > | 3.419709 | < 1/R**2 > | 47.865079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.178101 | .92414976 |
| 2 | 1s | 23.405602 | .07208394 |
| 3 | 2s | 8.174413 | .02591339 |
| 4 | 3s | 6.824868 | -.04160725 |
| 5 | 4s | 7.709427 | .02814630 |
| 6 | 5s | 25.678073 | -.00147424 |
| 7 | 4s | 57.989007 | -.00017080 |
| 8 | 5s | 3.308848 | -.00023414 |
| 9 | 3s | 67.050658 | -.00007765 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091167 | < R2 > | .011162 | < 1/R > | 16.574571 | < 1/R**2 > | 553.749515 |
Total Energy= -437.07881595 a.u.
Kinetic Energy= 437.03909889 a.u.
Potential Energy= -874.11791485 a.u.
Virial Ratio = -2.00009088