(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .667235 | .52761968 |
| 2 | 5p | 1.256875 | .67427211 |
| 3 | 4p | 3.861351 | -.19887609 |
| 4 | 2p | 7.323241 | .07093165 |
| 5 | 5p | 2.707844 | -.27384254 |
| 6 | 3p | 10.081092 | -.00994711 |
| 7 | 4p | 33.763043 | -.00007548 |
| 8 | 3p | .601234 | -.05625477 |
| ORB.ENERGY,a.u. | -.671970 | ||
| NORM | 1.000000 | < R > | 4.461379 | < R2 > | 21.820272 | < 1/R > | .262914 | < 1/R**2 > | .143027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.006251 | .37618808 |
| 2 | 2p | 1.848842 | -.61790915 |
| 3 | 3p | 2.370106 | -.52508178 |
| 4 | 2p | 9.776161 | .08899411 |
| 5 | 4p | 1.069309 | .06334009 |
| 6 | 3p | 16.362046 | -.00248416 |
| 7 | 4p | 33.592557 | -.00010030 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.492491 | < R2 > | 2.562549 | < 1/R > | .891359 | < 1/R**2 > | 1.739714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.473805 | -.32449826 |
| 2 | 1s | 12.239723 | .19795744 |
| 3 | 1s | 59.385305 | .00010049 |
| 4 | 2s | 5.723652 | -.22108648 |
| 5 | 3s | 2.605397 | .98826915 |
| 6 | 4s | 4.622999 | .14630142 |
| 7 | 3s | 36.146028 | -.00055718 |
| 8 | 5s | 2.348790 | .04023785 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.415491 | < R2 > | 2.288000 | < 1/R > | .961062 | < 1/R**2 > | 5.394626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.959799 | .41285269 |
| 2 | 3p | 7.908574 | .49230694 |
| 3 | 4p | 6.543419 | .18800928 |
| 4 | 5p | 5.320198 | .01829956 |
| 5 | 5p | 34.654266 | -.00020397 |
| 6 | 3p | 2.459138 | .00154104 |
| 7 | 2p | 24.087508 | .00153206 |
| 8 | 4p | 89.250743 | .00000625 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404896 | < R2 > | .203324 | < 1/R > | 3.206144 | < 1/R**2 > | 14.312759 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753719 | .37585797 |
| 2 | 2s | 6.936464 | -.76838209 |
| 3 | 3s | 6.415091 | -.16216480 |
| 4 | 4s | 26.641150 | .00171710 |
| 5 | 2s | 4.894220 | -.19784120 |
| 6 | 3s | 17.860490 | .00648650 |
| 7 | 4s | 3.182183 | -.00061449 |
| 8 | 5s | 44.931400 | .00012294 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440656 | < R2 > | .229923 | < 1/R > | 3.321797 | < 1/R**2 > | 45.391323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578361 | 1.01107941 |
| 2 | 2s | 20.681942 | -.01844381 |
| 3 | 3s | 15.065708 | .01706498 |
| 4 | 4s | 62.014222 | -.00038845 |
| 5 | 4s | 8.158787 | .00129730 |
| 6 | 5s | 80.167536 | .00011153 |
| 7 | 5s | 8.294713 | -.00056678 |
| 8 | 2s | 28.465605 | -.00340472 |
| 9 | 2s | 160.698079 | .00000233 |
| 10 | 3s | 1.907676 | -.00000792 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561115 | < 1/R**2 > | 553.052524 |
Total Energy= -457.29752801 a.u.
Kinetic Energy= 457.27995521 a.u.
Potential Energy= -914.57748321 a.u.
Virial Ratio = -2.00003843