(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 5p- electron | |
| 1 | 4p | 1.080249 | 1.17035380 |
| 2 | 5p | .784700 | -1.49953864 |
| 3 | 3p | 2.631946 | -.25861890 |
| 4 | 2p | 10.908247 | .01409029 |
| 5 | 2p | 5.333309 | .07488769 |
| 6 | 5p | 2.364036 | -.09826075 |
| 7 | 4p | 14.211950 | .00170174 |
| ORB.ENERGY,a.u. | -.463200 | ||
| NORM | 1.000002 | < R > | 7.737811 | < R2 > | 66.991314 | < 1/R > | .173356 | < 1/R**2 > | .107863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.798085 | .38518181 |
| 2 | 2p | 1.830578 | -.75371671 |
| 3 | 3p | 2.419018 | -.38917753 |
| 4 | 2p | 9.303139 | .10618222 |
| 5 | 4p | 2.039406 | .00210443 |
| 6 | 3p | 12.900008 | -.00619608 |
| 7 | 4p | 31.741221 | -.00033058 |
| 8 | 5p | 97.530696 | -.00000785 |
| 9 | 5p | .844313 | .00114628 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.523192 | < R2 > | 2.677509 | < 1/R > | .876478 | < 1/R**2 > | 1.689341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.377377 | -.33389955 |
| 2 | 1s | 12.264467 | .19708125 |
| 3 | 1s | 63.667003 | .00008107 |
| 4 | 2s | 5.673053 | -.22511811 |
| 5 | 3s | 2.697935 | .99635233 |
| 6 | 4s | 4.712355 | .11541938 |
| 7 | 3s | 36.724141 | -.00056388 |
| 8 | 5s | 2.539304 | .08243828 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413417 | < R2 > | 2.280936 | < 1/R > | .962607 | < 1/R**2 > | 5.413201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958292 | .41303959 |
| 2 | 3p | 7.908459 | .49213649 |
| 3 | 4p | 6.544845 | .18793249 |
| 4 | 5p | 5.326407 | .01826466 |
| 5 | 5p | 34.554497 | -.00020038 |
| 6 | 3p | 2.485755 | .00153354 |
| 7 | 2p | 24.101690 | .00153318 |
| 8 | 4p | 87.828481 | .00000668 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404837 | < R2 > | .203254 | < 1/R > | 3.206489 | < 1/R**2 > | 14.315387 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753781 | .37590333 |
| 2 | 2s | 6.936720 | -.76842911 |
| 3 | 3s | 6.416873 | -.16215980 |
| 4 | 4s | 26.679561 | .00171043 |
| 5 | 2s | 4.894168 | -.19784792 |
| 6 | 3s | 17.874773 | .00648371 |
| 7 | 4s | 2.939604 | -.00051583 |
| 8 | 5s | 44.711424 | .00012054 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440594 | < R2 > | .229850 | < 1/R > | 3.322229 | < 1/R**2 > | 45.402025 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578425 | 1.01107813 |
| 2 | 2s | 20.679213 | -.01844261 |
| 3 | 3s | 15.067562 | .01706269 |
| 4 | 4s | 62.040838 | -.00038880 |
| 5 | 4s | 8.154547 | .00129875 |
| 6 | 5s | 80.181402 | .00011156 |
| 7 | 5s | 8.290159 | -.00056722 |
| 8 | 2s | 28.466724 | -.00340489 |
| 9 | 2s | 162.461102 | .00000228 |
| 10 | 3s | 1.833231 | -.00000751 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561201 | < 1/R**2 > | 553.056999 |
Total Energy= -457.07061310 a.u.
Kinetic Energy= 457.07128049 a.u.
Potential Energy= -914.14189358 a.u.
Virial Ratio = -1.99999854