(1s 2 2s 2 2p 6 3p 1 ) 2 P Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 2.444428 | -.05379792 |
| 2 | 3p | 2.763560 | -1.09973783 |
| 3 | 2p | 4.698531 | .36612772 |
| 4 | 2p | 9.050444 | .14269760 |
| 5 | 3p | 12.503952 | -.00909883 |
| 6 | 4p | 30.339685 | -.00046419 |
| 7 | 5p | 1.772307 | -.01013973 |
| 8 | 3p | 44.345513 | -.00004109 |
| 9 | 4p | 1.587053 | .01216656 |
| ORB.ENERGY,a.u. | -3.612900 | ||
| NORM | 1.000000 | < R > | 1.342031 | < R2 > | 2.061202 | < 1/R > | 1.004910 | < 1/R**2 > | 2.211667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.582315 | .44860135 |
| 2 | 3p | 7.654512 | .47848083 |
| 3 | 5p | 5.698788 | .01416123 |
| 4 | 4p | 6.478942 | .15897183 |
| 5 | 2p | 22.442800 | .00298402 |
| 6 | 5p | 7.862707 | -.00010740 |
| 7 | 4p | 21.930725 | .00119098 |
| 8 | 3p | 33.974606 | .00024009 |
| 9 | 5p | 3.534488 | .00056611 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .401649 | < R2 > | .199514 | < 1/R > | 3.225050 | < 1/R**2 > | 14.457686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.679437 | .37961404 |
| 2 | 2s | 7.055772 | -.83561228 |
| 3 | 3s | 6.183711 | -.30746578 |
| 4 | 4s | 28.588828 | .00168786 |
| 5 | 3s | 16.619211 | .00893574 |
| 6 | 4s | 4.097566 | -.00439341 |
| 7 | 5s | 3.665369 | .00129202 |
| 8 | 4s | 2.490701 | -.00029059 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .439572 | < R2 > | .228561 | < 1/R > | 3.328407 | < 1/R**2 > | 45.545849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578931 | 1.01111646 |
| 2 | 2s | 20.641184 | -.01849486 |
| 3 | 3s | 15.125751 | .01700878 |
| 4 | 4s | 60.899881 | -.00038493 |
| 5 | 4s | 8.128610 | .00155048 |
| 6 | 5s | 77.901210 | .00010742 |
| 7 | 5s | 8.495112 | -.00077370 |
| 8 | 2s | 28.452201 | -.00342499 |
| 9 | 2s | 153.385086 | .00000287 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091272 | < R2 > | .011193 | < 1/R > | 16.562537 | < 1/R**2 > | 553.132630 |
Total Energy= -448.37448282 a.u.
Kinetic Energy= 448.37449086 a.u.
Potential Energy= -896.74897368 a.u.
Virial Ratio = -1.99999998