(1s 2 2s 1 5p 1 ) 3 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.124526 | 5.36119799 |
| 2 | 3p | 3.489920 | -6.40429532 |
| 3 | 4p | 2.699694 | 7.70009506 |
| 4 | 5p | 2.773108 | -7.99004410 |
| 5 | 2p | 11.663502 | .02213968 |
| 6 | 5p | 16.495544 | .00375857 |
| 7 | 4p | 36.117269 | -.00021937 |
| 8 | 5p | 1.344344 | -.00116936 |
| 9 | 5p | 116.110208 | -.00000477 |
| ORB.ENERGY,a.u. | -4.007900 | ||
| NORM | 1.000001 | < R > | 2.552701 | < R2 > | 7.335647 | < 1/R > | .572757 | < 1/R**2 > | 1.127015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.785196 | .43758813 |
| 2 | 2s | 7.485291 | -.81409116 |
| 3 | 3s | 8.760779 | -.30658377 |
| 4 | 5s | 15.388095 | -.02342279 |
| 5 | 4s | 31.747294 | .00422571 |
| 6 | 5s | 42.716397 | -.00103937 |
| 7 | 4s | 6.487363 | .00114663 |
| 8 | 3s | 78.649013 | .00002818 |
| 9 | 5s | 1.826528 | -.00007195 |
| ORB.ENERGY,a.u. | -29.212000 | ||
| NORM | 1.000000 | < R > | .381550 | < R2 > | .169776 | < 1/R > | 3.873719 | < 1/R**2 > | 60.433555 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395470 | .93925796 |
| 2 | 1s | 25.866469 | .04798407 |
| 3 | 2s | 20.304865 | .01680492 |
| 4 | 3s | 12.578385 | .00143041 |
| 5 | 4s | 67.835578 | -.00041911 |
| 6 | 5s | 90.351644 | .00015358 |
| 7 | 5s | 8.427655 | .00009807 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090340 | < R2 > | .010919 | < 1/R > | 16.673574 | < 1/R**2 > | 558.952617 |
Total Energy= -312.09470535 a.u.
Kinetic Energy= 312.09775128 a.u.
Potential Energy= -624.19245663 a.u.
Virial Ratio = -1.99999024