(1s 2 2s 2 2p 6 3s 2 4s 1 ) 2 S Cl 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 13.681935 | .06801440 |
| 2 | 2s | 5.506173 | -.27844727 |
| 3 | 3s | 2.642042 | .86135312 |
| 4 | 4s | 1.424865 | -2.61735487 |
| 5 | 5s | 1.516788 | 1.38721140 |
| 6 | 5s | 18.750644 | -.00271488 |
| 7 | 3s | .568103 | .00119157 |
| 8 | 4s | 38.344127 | .00003517 |
| ORB.ENERGY,a.u. | -1.297200 | ||
| NORM | 1.000000 | < R > | 2.955507 | < R2 > | 9.757069 | < 1/R > | .456426 | < 1/R**2 > | 1.570795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.565953 | 2.71225214 |
| 2 | 1s | 19.340074 | .01886583 |
| 3 | 2s | 6.212391 | -1.40854729 |
| 4 | 3s | 1.922832 | -.51939514 |
| 5 | 4s | 5.314835 | -.58737130 |
| 6 | 5s | 8.459659 | -.12508125 |
| 7 | 3s | 48.985938 | -.00005963 |
| 8 | 2s | .477584 | -.00025483 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.333490 | < R2 > | 2.020169 | < 1/R > | 1.026611 | < 1/R**2 > | 6.207925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.741696 | .43461551 |
| 2 | 3p | 7.674939 | .49976595 |
| 3 | 5p | 5.077190 | .00874008 |
| 4 | 4p | 6.294243 | .16239414 |
| 5 | 2p | 22.417855 | .00221764 |
| 6 | 5p | 37.477341 | -.00015599 |
| 7 | 4p | 21.538116 | .00003522 |
| 8 | 3p | 65.483616 | .00000707 |
| 9 | 4p | 1.412248 | -.00004235 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .403435 | < R2 > | .201589 | < 1/R > | 3.214525 | < 1/R**2 > | 14.376353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.713580 | .37890571 |
| 2 | 2s | 6.940618 | -.77102373 |
| 3 | 3s | 6.264116 | -.16415021 |
| 4 | 4s | 28.258678 | .00184015 |
| 5 | 2s | 5.138806 | -.19584200 |
| 6 | 3s | 17.075534 | .00755856 |
| 7 | 4s | 1.614641 | .00011892 |
| 8 | 5s | 64.279009 | .00001318 |
| 9 | 2s | 56.404678 | .00000161 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .438910 | < R2 > | .227872 | < 1/R > | 3.334301 | < 1/R**2 > | 45.703443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580426 | 1.01102265 |
| 2 | 2s | 20.560438 | -.01838981 |
| 3 | 3s | 15.151461 | .01696930 |
| 4 | 4s | 61.443554 | -.00040698 |
| 5 | 4s | 8.559368 | .00129389 |
| 6 | 5s | 78.843258 | .00011795 |
| 7 | 5s | 8.742471 | -.00054449 |
| 8 | 2s | 28.637780 | -.00344497 |
| 9 | 2s | 166.493035 | .00000228 |
| 10 | 3s | 5.526735 | .00009583 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091262 | < R2 > | .011190 | < 1/R > | 16.563604 | < 1/R**2 > | 553.180758 |
Total Energy= -453.70430974 a.u.
Kinetic Energy= 453.70431167 a.u.
Potential Energy= -907.40862141 a.u.
Virial Ratio = -2.00000000