(1s 2 2s 2 2p 4 4s 1 ) 4 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 13.776642 | .10368992 |
| 2 | 2s | 3.290749 | -1.51614681 |
| 3 | 3s | 3.347107 | 2.95586277 |
| 4 | 4s | 2.482684 | -1.88213901 |
| 5 | 5s | 4.944283 | -.19419588 |
| 6 | 4s | 14.445901 | -.01454636 |
| 7 | 5s | 33.212962 | -.00026216 |
| 8 | 5s | 1.879083 | .00629062 |
| 9 | 4s | 52.740519 | -.00009306 |
| ORB.ENERGY,a.u. | -3.143100 | ||
| NORM | 1.000001 | < R > | 2.163861 | < R2 > | 5.259465 | < 1/R > | .661842 | < 1/R**2 > | 3.551497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.038178 | 1.13542256 |
| 2 | 3p | 6.805388 | -.21378119 |
| 3 | 2p | 12.841681 | .07420209 |
| 4 | 4p | 15.152592 | .01196798 |
| 5 | 5p | 42.436359 | -.00012332 |
| 6 | 5p | 4.551516 | -.00068540 |
| ORB.ENERGY,a.u. | -16.085000 | ||
| NORM | 1.000000 | < R > | .374412 | < R2 > | .171413 | < 1/R > | 3.416056 | < 1/R**2 > | 16.001504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.789526 | .35304983 |
| 2 | 2s | 6.259696 | -.78348347 |
| 3 | 3s | 9.485320 | -.24030998 |
| 4 | 4s | 7.650625 | -.05638528 |
| 5 | 5s | 20.152207 | -.00795781 |
| 6 | 4s | 2.126176 | .02254110 |
| 7 | 3s | 1.622415 | -.02265276 |
| 8 | 3s | 58.010977 | -.00006603 |
| 9 | 4s | 113.911145 | .00000707 |
| 10 | 5s | 1.672469 | .00303994 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421033 | < R2 > | .208542 | < 1/R > | 3.479863 | < 1/R**2 > | 49.450901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.154933 | .92130074 |
| 2 | 1s | 23.261820 | .07606321 |
| 3 | 2s | 8.665211 | .02285368 |
| 4 | 3s | 10.727952 | -.02514445 |
| 5 | 4s | 13.696421 | .01004658 |
| 6 | 5s | 41.162343 | .00061135 |
| 7 | 3s | 61.340049 | -.00008702 |
| 8 | 5s | 2.131720 | -.00020615 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011120 | < 1/R > | 16.590351 | < 1/R**2 > | 554.564466 |
Total Energy= -420.46317618 a.u.
Kinetic Energy= 420.47371220 a.u.
Potential Energy= -840.93688838 a.u.
Virial Ratio = -1.99997494