(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p | 2.360847 | -.14936648 |
| 2 | 4p | 15.676210 | .00086021 |
| 3 | 4p | 1.018802 | 1.29295103 |
| 4 | 5p | .768597 | -1.59794866 |
| 5 | 3p | 2.702909 | -.17594713 |
| 6 | 2p | 11.493022 | .00806515 |
| 7 | 2p | 5.543291 | .05695725 |
| ORB.ENERGY,a.u. | -.454070 | ||
| NORM | 1.000000 | < R > | 8.012382 | < R2 > | 71.596711 | < 1/R > | .159215 | < 1/R**2 > | .070809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 1.194879 | -.31100165 |
| 2 | 3p | 2.499778 | -.82423269 |
| 3 | 2p | 7.648014 | .27344896 |
| 4 | 5p | 1.573061 | .10599255 |
| 5 | 3p | 13.277840 | -.00541875 |
| 6 | 4p | 7.108693 | .11767890 |
| 7 | 5p | .713145 | -.06029664 |
| 8 | 5p | 41.067390 | -.00006339 |
| 9 | 4p | .604336 | .03045856 |
| 10 | 2p | 28.100626 | .00013805 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.516191 | < R2 > | 2.679564 | < 1/R > | .881237 | < 1/R**2 > | 1.705495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.377394 | -.33391290 |
| 2 | 1s | 12.264082 | .19709747 |
| 3 | 1s | 63.562778 | .00008154 |
| 4 | 2s | 5.673260 | -.22513427 |
| 5 | 3s | 2.697791 | .99648829 |
| 6 | 4s | 4.713929 | .11532852 |
| 7 | 3s | 36.693463 | -.00056450 |
| 8 | 5s | 2.543926 | .08224390 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413244 | < R2 > | 2.280223 | < 1/R > | .962679 | < 1/R**2 > | 5.413765 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958073 | .41306375 |
| 2 | 3p | 7.908465 | .49211524 |
| 3 | 4p | 6.544978 | .18792370 |
| 4 | 5p | 5.330657 | .01824560 |
| 5 | 5p | 34.491578 | -.00019981 |
| 6 | 3p | 2.461284 | .00155336 |
| 7 | 2p | 24.110025 | .00153256 |
| 8 | 4p | 87.445886 | .00000681 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404828 | < R2 > | .203244 | < 1/R > | 3.206533 | < 1/R**2 > | 14.315704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753754 | .37590576 |
| 2 | 2s | 6.936730 | -.76843038 |
| 3 | 3s | 6.417130 | -.16215827 |
| 4 | 4s | 26.686309 | .00171007 |
| 5 | 2s | 4.894126 | -.19784820 |
| 6 | 3s | 17.869886 | .00648462 |
| 7 | 4s | 2.938183 | -.00052065 |
| 8 | 5s | 44.703673 | .00012096 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440593 | < R2 > | .229849 | < 1/R > | 3.322241 | < 1/R**2 > | 45.402333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578425 | 1.01107827 |
| 2 | 2s | 20.679078 | -.01844277 |
| 3 | 3s | 15.067594 | .01706264 |
| 4 | 4s | 62.042105 | -.00038881 |
| 5 | 4s | 8.154161 | .00129889 |
| 6 | 5s | 80.181677 | .00011156 |
| 7 | 5s | 8.289735 | -.00056726 |
| 8 | 2s | 28.466762 | -.00340490 |
| 9 | 2s | 162.532431 | .00000228 |
| 10 | 3s | 1.838118 | -.00000758 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561204 | < 1/R**2 > | 553.057139 |
Total Energy= -457.07001689 a.u.
Kinetic Energy= 457.06215024 a.u.
Potential Energy= -914.13216713 a.u.
Virial Ratio = -2.00001721