(1s 2 2s 2 2p 5 ) 2 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 5.571829 | .20136048 |
| 2 | 2p | 6.938321 | .99019018 |
| 3 | 3p | 9.597884 | -.24276027 |
| 4 | 4p | 12.815030 | .02813031 |
| 5 | 5p | 6.870292 | .04365392 |
| 6 | 5p | 22.662434 | .00164981 |
| 7 | 5p | 6.894576 | -.00120134 |
| ORB.ENERGY,a.u. | -14.678000 | ||
| NORM | 1.000000 | < R > | .386816 | < R2 > | .183838 | < 1/R > | 3.325071 | < 1/R**2 > | 15.255017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.652921 | .39001132 |
| 2 | 2s | 7.128596 | -.84125998 |
| 3 | 3s | 6.440700 | -.31332921 |
| 4 | 4s | 27.763866 | .00187045 |
| 5 | 3s | 17.512800 | .00756906 |
| 6 | 5s | 8.369474 | .01099905 |
| 7 | 4s | 2.994286 | -.00007669 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .429261 | < R2 > | .217217 | < 1/R > | 3.409822 | < 1/R**2 > | 47.623348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.140208 | .92186669 |
| 2 | 1s | 23.438756 | .07515576 |
| 3 | 2s | 9.429668 | .02235854 |
| 4 | 3s | 12.759908 | -.01984029 |
| 5 | 4s | 15.396796 | .00939025 |
| 6 | 5s | 41.303026 | .00056719 |
| 7 | 4s | 11.108883 | -.00332708 |
| 8 | 3s | 58.679653 | -.00009680 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576307 | < 1/R**2 > | 553.842123 |
Total Energy= -432.00565278 a.u.
Kinetic Energy= 432.00566812 a.u.
Potential Energy= -864.01132090 a.u.
Virial Ratio = -1.99999996