(1s 2 2s 1 3s 1 ) 3 S Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 12.556798 | .28124457 |
| 2 | 2s | 5.707042 | -1.51687477 |
| 3 | 3s | 5.129286 | 2.07483254 |
| 4 | 4s | 9.303114 | -.11031200 |
| 5 | 5s | 16.118108 | -.01797992 |
| 6 | 4s | 31.531250 | .00175317 |
| 7 | 5s | 5.064900 | -.01090306 |
| 8 | 3s | 45.926623 | .00011968 |
| ORB.ENERGY,a.u. | -13.466000 | ||
| NORM | 1.000000 | < R > | .843745 | < R2 > | .806024 | < 1/R > | 1.731656 | < 1/R**2 > | 17.940541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.753252 | .43468348 |
| 2 | 2s | 7.826777 | -.80845829 |
| 3 | 3s | 9.665105 | -.29999321 |
| 4 | 5s | 16.922837 | -.02250739 |
| 5 | 4s | 32.017272 | .00218790 |
| 6 | 5s | 12.764952 | -.00557187 |
| 7 | 3s | 44.308197 | .00012681 |
| 8 | 4s | 21.648606 | -.00058032 |
| ORB.ENERGY,a.u. | -32.489000 | ||
| NORM | 1.000000 | < R > | .358170 | < R2 > | .149666 | < 1/R > | 4.135035 | < 1/R**2 > | 68.894273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.359502 | .93969548 |
| 2 | 1s | 27.670593 | .04754559 |
| 3 | 2s | 22.328938 | .01697791 |
| 4 | 3s | 10.379085 | .00092093 |
| 5 | 4s | 70.413517 | -.00043313 |
| 6 | 5s | 93.249654 | .00015983 |
| 7 | 5s | 20.297398 | .00049014 |
| 8 | 4s | 5.378518 | -.00029570 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085234 | < R2 > | .009719 | < 1/R > | 17.670158 | < 1/R**2 > | 627.626716 |
Total Energy= -359.80555903 a.u.
Kinetic Energy= 359.86179571 a.u.
Potential Energy= -719.66735475 a.u.
Virial Ratio = -1.99984373