(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 1.104034 | 1.11397088 |
| 2 | 4d | 1.179922 | -.42163046 |
| 3 | 3d | 2.340707 | .65314872 |
| 4 | 4d | 2.794922 | -.36046783 |
| 5 | 5d | 3.095074 | .06106864 |
| 6 | 3d | 7.237037 | .01512283 |
| 7 | 4d | 30.026184 | .00002187 |
| ORB.ENERGY,a.u. | -.828520 | ||
| NORM | 1.000000 | < R > | 2.313045 | < R2 > | 6.483532 | < 1/R > | .547037 | < 1/R**2 > | .401237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.698875 | .37659009 |
| 2 | 2p | 1.799398 | -.83785275 |
| 3 | 3p | 2.170872 | -.42712394 |
| 4 | 2p | 8.872574 | .12107223 |
| 5 | 4p | 2.429308 | .12574222 |
| 6 | 3p | 17.087103 | -.00456423 |
| 7 | 4p | 12.914111 | -.00991566 |
| 8 | 5p | 84.564857 | .00000595 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.563722 | < R2 > | 2.830981 | < 1/R > | .853667 | < 1/R**2 > | 1.605734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.403685 | -.32064721 |
| 2 | 1s | 12.288482 | .19243228 |
| 3 | 1s | 94.833193 | .00002663 |
| 4 | 2s | 5.713687 | -.21913260 |
| 5 | 3s | 2.647660 | .96146369 |
| 6 | 4s | 4.677441 | .13168282 |
| 7 | 3s | 37.701006 | -.00065913 |
| 8 | 5s | 2.415859 | .09738012 |
| 9 | 4s | 106.513276 | -.00001510 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.439943 | < R2 > | 2.375165 | < 1/R > | .944603 | < 1/R**2 > | 5.203847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.961299 | .41290366 |
| 2 | 3p | 7.908734 | .49238599 |
| 3 | 4p | 6.538715 | .18808695 |
| 4 | 5p | 5.277906 | .01849146 |
| 5 | 5p | 35.046216 | -.00021953 |
| 6 | 3p | 2.164462 | .00178185 |
| 7 | 2p | 24.070553 | .00152146 |
| 8 | 4p | 94.910231 | .00000475 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404979 | < R2 > | .203481 | < 1/R > | 3.206168 | < 1/R**2 > | 14.314490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753447 | .37591086 |
| 2 | 2s | 6.939577 | -.76842366 |
| 3 | 3s | 6.427945 | -.16202495 |
| 4 | 4s | 27.087380 | .00175551 |
| 5 | 2s | 4.876488 | -.19811790 |
| 6 | 3s | 17.856716 | .00647276 |
| 7 | 4s | 2.746580 | -.00060035 |
| 8 | 5s | 46.030886 | .00007004 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440642 | < R2 > | .229927 | < 1/R > | 3.322098 | < 1/R**2 > | 45.399957 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578697 | 1.01107319 |
| 2 | 2s | 20.668644 | -.01843822 |
| 3 | 3s | 15.075201 | .01705377 |
| 4 | 4s | 62.122016 | -.00039025 |
| 5 | 4s | 8.140803 | .00130432 |
| 6 | 5s | 80.278179 | .00011164 |
| 7 | 5s | 8.274683 | -.00056820 |
| 8 | 2s | 28.471942 | -.00340561 |
| 9 | 2s | 167.654122 | .00000214 |
| 10 | 3s | 1.675608 | -.00000653 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091280 | < R2 > | .011195 | < 1/R > | 16.561559 | < 1/R**2 > | 553.076017 |
Total Energy= -457.47602794 a.u.
Kinetic Energy= 457.43791973 a.u.
Potential Energy= -914.91394767 a.u.
Virial Ratio = -2.00008331