(1s 2 2s 2 2p 6 3s 2 3p 2 5s 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 13.490171 | .03212630 |
| 2 | 2s | 5.533009 | -.12751488 |
| 3 | 3s | 2.814340 | .28466731 |
| 4 | 4s | 1.322292 | -1.37680018 |
| 5 | 5s | .872334 | 1.36242216 |
| 6 | 3s | 1.212440 | .42561067 |
| 7 | 5s | 25.348082 | .00093575 |
| 8 | 4s | 18.801143 | -.00240030 |
| 9 | 2s | 36.993606 | -.00005772 |
| 10 | 3s | 41.417978 | -.00007674 |
| ORB.ENERGY,a.u. | -.513720 | ||
| NORM | .999999 | < R > | 6.848223 | < R2 > | 52.357055 | < 1/R > | .196545 | < 1/R**2 > | .348084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.830993 | .38570284 |
| 2 | 2p | 1.814935 | -.76087702 |
| 3 | 3p | 2.427236 | -.37796755 |
| 4 | 2p | 9.460861 | .09988065 |
| 5 | 4p | 1.027782 | .00303773 |
| 6 | 3p | 14.051603 | -.00437424 |
| 7 | 4p | 36.194330 | -.00028458 |
| 8 | 5p | 52.034356 | .00007379 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.526841 | < R2 > | 2.690601 | < 1/R > | .874168 | < 1/R**2 > | 1.680227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.492528 | 2.23707619 |
| 2 | 1s | 17.138537 | .03319391 |
| 3 | 2s | 6.045893 | -1.20651392 |
| 4 | 3s | 1.458610 | -.53895785 |
| 5 | 4s | 5.006255 | -.41838439 |
| 6 | 5s | 8.024442 | -.12709687 |
| 7 | 4s | 1.589943 | .24536996 |
| 8 | 3s | 58.923410 | -.00017636 |
| 9 | 5s | .892109 | -.01668394 |
| 10 | 4s | 91.935382 | .00006005 |
| 11 | 2s | .625660 | .03107261 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413596 | < R2 > | 2.282103 | < 1/R > | .962682 | < 1/R**2 > | 5.415158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958225 | .41303912 |
| 2 | 3p | 7.908523 | .49213978 |
| 3 | 4p | 6.544469 | .18793637 |
| 4 | 5p | 5.329996 | .01825041 |
| 5 | 5p | 34.514537 | -.00020150 |
| 6 | 3p | 2.489394 | .00152355 |
| 7 | 2p | 24.106016 | .00153256 |
| 8 | 4p | 88.062229 | .00000664 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404836 | < R2 > | .203251 | < 1/R > | 3.206480 | < 1/R**2 > | 14.315270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754044 | .37593311 |
| 2 | 2s | 6.937008 | -.76843992 |
| 3 | 3s | 6.419189 | -.16214376 |
| 4 | 4s | 26.706802 | .00171397 |
| 5 | 2s | 4.893787 | -.19785564 |
| 6 | 3s | 17.900816 | .00647641 |
| 7 | 4s | 2.783497 | -.00049672 |
| 8 | 5s | 44.865395 | .00011233 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440549 | < R2 > | .229800 | < 1/R > | 3.322579 | < 1/R**2 > | 45.410989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578475 | 1.01107688 |
| 2 | 2s | 20.676401 | -.01844149 |
| 3 | 3s | 15.069085 | .01706080 |
| 4 | 4s | 62.075274 | -.00038912 |
| 5 | 4s | 8.148085 | .00130060 |
| 6 | 5s | 80.172111 | .00011163 |
| 7 | 5s | 8.290530 | -.00056740 |
| 8 | 2s | 28.467663 | -.00340504 |
| 9 | 2s | 164.992636 | .00000222 |
| 10 | 3s | 1.535032 | -.00000902 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561272 | < 1/R**2 > | 553.060528 |
Total Energy= -457.11867203 a.u.
Kinetic Energy= 457.12129054 a.u.
Potential Energy= -914.23996257 a.u.
Virial Ratio = -1.99999427