(1s 2 2s 2 2p 6 5p 1 ) 2 P Cl 6+
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 | 2p | 9.832764 | .04611838 |
| 2 | 2p | 4.740098 | .16731800 |
| 3 | 3p | 2.070654 | -1.71266140 |
| 4 | 4p | 1.769356 | 3.60901693 |
| 5 | 5p | 1.492939 | -2.70145505 |
| 6 | 5p | 15.111169 | .00212678 |
| 7 | 4p | 36.360169 | -.00012285 |
| 8 | 3p | .971073 | .05167494 |
| ORB.ENERGY,a.u. | -1.143900 | ||
| NORM | 1.000001 | < R > | 4.465862 | < R2 > | 22.424915 | < 1/R > | .321461 | < 1/R**2 > | .391106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 4p | 6.512640 | .15813491 |
| 2 | 2p | 23.076106 | .00236960 |
| 3 | 5p | 17.204356 | -.00089359 |
| 4 | 4p | 47.010302 | .00005969 |
| 5 | 3p | 55.982463 | .00002458 |
| 6 | 2p | 9.579326 | .45394890 |
| 7 | 3p | 7.657299 | .47559934 |
| 8 | 5p | 5.850753 | .01373101 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .400476 | < R2 > | .198150 | < 1/R > | 3.231934 | < 1/R**2 > | 14.510278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.678673 | .38044032 |
| 2 | 2s | 7.059244 | -.83662797 |
| 3 | 3s | 6.192583 | -.30775164 |
| 4 | 4s | 28.356009 | .00171021 |
| 5 | 3s | 16.849837 | .00856510 |
| 6 | 4s | 3.798757 | -.00132852 |
| 7 | 5s | 3.281696 | .00061648 |
| 8 | 4s | 1.817343 | -.00012384 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438551 | < R2 > | .227353 | < 1/R > | 3.335568 | < 1/R**2 > | 45.722875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580049 | 1.01109196 |
| 2 | 2s | 20.571335 | -.01845709 |
| 3 | 3s | 15.185000 | .01693071 |
| 4 | 4s | 60.371119 | -.00037815 |
| 5 | 4s | 8.600150 | .00158798 |
| 6 | 5s | 77.346736 | .00010097 |
| 7 | 5s | 9.179458 | -.00071185 |
| 8 | 2s | 28.543718 | -.00347218 |
| 9 | 2s | 140.297298 | .00000381 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091261 | < R2 > | .011190 | < 1/R > | 16.563953 | < 1/R**2 > | 553.206653 |
Total Energy= -445.90772934 a.u.
Kinetic Energy= 445.90773835 a.u.
Potential Energy= -891.81546770 a.u.
Virial Ratio = -1.99999998