(1s 2 2s 2 2p 6 3s 2 3p 5 ) 2 P Cl 0
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 | 5.530096 | .35994812 |
| 2 | 2p | 1.343582 | -.79964503 |
| 3 | 3p | 2.672903 | -.25251981 |
| 4 | 2p | 13.498696 | .01725081 |
| 5 | 4p | 9.124785 | -.04156005 |
| 6 | 4p | 1.202746 | -.04280619 |
| 7 | 5p | 41.675013 | -.00009277 |
| 8 | 2p | 54.448813 | .00000699 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.842028 | < R2 > | 4.059238 | < 1/R > | .733287 | < 1/R**2 > | 1.201130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.275948 | -.07258747 |
| 2 | 1s | 12.785891 | .15774861 |
| 3 | 2s | 5.682561 | -.37432069 |
| 4 | 3s | 2.387690 | .81011487 |
| 5 | 4s | 4.269361 | .18216487 |
| 6 | 3s | 18.754878 | .00317728 |
| 7 | 5s | 2.082782 | .11776533 |
| 8 | 4s | 55.006436 | -.00005576 |
| 9 | 2s | 1.087066 | .02201981 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.555630 | < R2 > | 2.812967 | < 1/R > | .874884 | < 1/R**2 > | 4.434407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.400576 | .46565291 |
| 2 | 3p | 7.269315 | .51306907 |
| 3 | 4p | 5.784749 | .11722463 |
| 4 | 5p | 3.758402 | .00354563 |
| 5 | 2p | 19.435735 | .00432230 |
| 6 | 5p | 37.826259 | -.00021348 |
| 7 | 3p | 1.411428 | .00088785 |
| 8 | 4p | 104.556279 | .00000323 |
| 9 | 3p | 29.689733 | -.00014317 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405715 | < R2 > | .204326 | < 1/R > | 3.201536 | < 1/R**2 > | 14.277856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762261 | .37468992 |
| 2 | 2s | 6.929779 | -.76813718 |
| 3 | 3s | 6.421334 | -.16191874 |
| 4 | 4s | 28.155946 | .00174243 |
| 5 | 2s | 4.850007 | -.19757210 |
| 6 | 3s | 17.519555 | .00668455 |
| 7 | 4s | 3.412885 | -.00190058 |
| 8 | 5s | 2.365887 | -.00036091 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441714 | < R2 > | .231193 | < 1/R > | 3.314397 | < 1/R**2 > | 45.207783 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.576986 | 1.01113009 |
| 2 | 2s | 20.740863 | -.01850808 |
| 3 | 3s | 15.037462 | .01710616 |
| 4 | 4s | 62.387259 | -.00037410 |
| 5 | 4s | 8.181073 | .00126121 |
| 6 | 5s | 80.809729 | .00010674 |
| 7 | 5s | 8.258372 | -.00054870 |
| 8 | 2s | 28.327470 | -.00339194 |
| 9 | 2s | 158.200075 | .00000233 |
| 10 | 3s | 2.126359 | -.00002598 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091295 | < R2 > | .011200 | < 1/R > | 16.559693 | < 1/R**2 > | 552.979492 |
Total Energy= -459.48207513 a.u.
Kinetic Energy= 459.48206983 a.u.
Potential Energy= -918.96414496 a.u.
Virial Ratio = -2.00000001