(1s 2 2s 2 2p 1 3s 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 12.867458 | .22658846 |
| 2 | 2s | 4.944007 | -1.36274505 |
| 3 | 3s | 4.376834 | 1.90111615 |
| 4 | 4s | 10.369686 | -.04386628 |
| 5 | 5s | 18.809888 | -.00713073 |
| 6 | 5s | 3.584484 | .00775067 |
| 7 | 4s | 3.098520 | -.00634454 |
| 8 | 4s | 66.965694 | -.00003563 |
| 9 | 2s | 32.180609 | -.00015571 |
| ORB.ENERGY,a.u. | -9.351600 | ||
| NORM | 1.000000 | < R > | .972688 | < R2 > | 1.072708 | < 1/R > | 1.491843 | < 1/R**2 > | 13.447553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.125735 | 1.07463351 |
| 2 | 3p | 8.408394 | -.09028757 |
| 3 | 2p | 17.569649 | .01275114 |
| 4 | 5p | 22.140761 | .00207546 |
| 5 | 5p | 7.047783 | .00575206 |
| 6 | 2p | 96.662630 | -.00000110 |
| ORB.ENERGY,a.u. | -22.916000 | ||
| NORM | 1.000000 | < R > | .343270 | < R2 > | .142576 | < 1/R > | 3.678942 | < 1/R**2 > | 18.288008 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.848947 | .37328167 |
| 2 | 2s | 6.194084 | -.83401966 |
| 3 | 3s | 9.532217 | -.31007691 |
| 4 | 4s | 6.999978 | .08073645 |
| 5 | 5s | 19.468918 | -.00989785 |
| 6 | 5s | 4.445530 | -.00164499 |
| 7 | 3s | 36.896794 | -.00006316 |
| 8 | 5s | 46.711755 | .00021685 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397566 | < R2 > | .185124 | < 1/R > | 3.701154 | < 1/R**2 > | 55.409518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.194871 | .93344989 |
| 2 | 1s | 24.323040 | .06436754 |
| 3 | 2s | 14.535596 | .01587742 |
| 4 | 3s | 17.898541 | -.01117793 |
| 5 | 4s | 93.743527 | -.00003427 |
| 6 | 5s | 40.799136 | .00080355 |
| 7 | 5s | 5.770407 | .00022095 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090557 | < R2 > | .010980 | < 1/R > | 16.645517 | < 1/R**2 > | 557.427661 |
Total Energy= -368.72439500 a.u.
Kinetic Energy= 368.74513920 a.u.
Potential Energy= -737.46953421 a.u.
Virial Ratio = -1.99994374