(1s 2 2s 2 2p 6 3s 1 ) 2 S Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 14.886063 | .12706155 |
| 2 | 2s | 5.133409 | -.56413089 |
| 3 | 3s | 2.997849 | 1.13997742 |
| 4 | 4s | 3.681382 | .05854082 |
| 5 | 4s | 12.788114 | -.03622034 |
| 6 | 5s | 22.288062 | -.00340727 |
| 7 | 2s | 22.711432 | .00274181 |
| 8 | 1s | 1.378090 | .00448158 |
| ORB.ENERGY,a.u. | -4.178200 | ||
| NORM | 1.000000 | < R > | 1.283424 | < R2 > | 1.864944 | < 1/R > | 1.074140 | < 1/R**2 > | 6.870105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.601987 | .44969629 |
| 2 | 3p | 7.661091 | .47916495 |
| 3 | 5p | 5.658746 | .01461577 |
| 4 | 4p | 6.477162 | .15950523 |
| 5 | 2p | 23.305365 | .00231744 |
| 6 | 5p | 17.597487 | -.00100950 |
| 7 | 4p | 18.294464 | .00032718 |
| 8 | 3p | 37.068605 | .00012102 |
| 9 | 5p | 3.727819 | .00023360 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .401791 | < R2 > | .199676 | < 1/R > | 3.224171 | < 1/R**2 > | 14.450433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.674703 | .38045463 |
| 2 | 2s | 7.061295 | -.83659566 |
| 3 | 3s | 6.190361 | -.30780141 |
| 4 | 4s | 28.592655 | .00170169 |
| 5 | 3s | 16.732185 | .00875359 |
| 6 | 4s | 4.289784 | -.00385500 |
| 7 | 5s | 7.580735 | .00152556 |
| 8 | 4s | 1.986081 | -.00009244 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438952 | < R2 > | .227919 | < 1/R > | 3.333806 | < 1/R**2 > | 45.687918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579928 | 1.01109243 |
| 2 | 2s | 20.557554 | -.01845929 |
| 3 | 3s | 15.166694 | .01695260 |
| 4 | 4s | 61.359079 | -.00039017 |
| 5 | 4s | 8.355500 | .00158053 |
| 6 | 5s | 79.113340 | .00010787 |
| 7 | 5s | 8.807625 | -.00073633 |
| 8 | 2s | 28.574907 | -.00345889 |
| 9 | 2s | 155.479690 | .00000274 |
| 10 | 3s | 2.167873 | -.00001080 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091260 | < R2 > | .011190 | < 1/R > | 16.563896 | < 1/R**2 > | 553.200057 |
Total Energy= -448.93023101 a.u.
Kinetic Energy= 448.93019630 a.u.
Potential Energy= -897.86042731 a.u.
Virial Ratio = -2.00000008