(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P Ar 6+
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 | 3p | .363092 | -.00004322 |
| 2 | 2p | 11.288481 | .03009758 |
| 3 | 2p | 5.660629 | .15719695 |
| 4 | 3p | 2.474021 | -1.06353186 |
| 5 | 4p | 1.719763 | 3.24387047 |
| 6 | 5p | 1.556798 | -2.96175795 |
| 7 | 5p | 19.574386 | .00144469 |
| 8 | 3p | 38.986727 | -.00002772 |
| ORB.ENERGY,a.u. | -1.186700 | ||
| NORM | .999998 | < R > | 4.310408 | < R2 > | 20.861616 | < 1/R > | .329947 | < 1/R**2 > | .409178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.702356 | -.06608640 |
| 2 | 1s | 3.992352 | .12992271 |
| 3 | 1s | 14.445394 | .13615538 |
| 4 | 2s | 6.556686 | -.60937741 |
| 5 | 3s | 3.113872 | .78248531 |
| 6 | 4s | 4.209554 | .39226733 |
| 7 | 5s | 7.892024 | -.04013594 |
| 8 | 4s | 27.135661 | .00169254 |
| 9 | 3s | 30.384534 | .00037741 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.168439 | < R2 > | 1.545835 | < 1/R > | 1.187682 | < 1/R**2 > | 8.447304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.055823 | .45564445 |
| 2 | 3p | 8.340543 | .46841458 |
| 3 | 5p | 5.206838 | .00761708 |
| 4 | 4p | 6.928891 | .17350974 |
| 5 | 2p | 19.464219 | .00802510 |
| 6 | 5p | 15.020462 | -.00854126 |
| 7 | 3p | 57.034111 | .00003160 |
| 8 | 4p | 112.066618 | -.00000355 |
| 9 | 3p | 3.825897 | -.00482203 |
| 10 | 4p | 1.793636 | .00004226 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371664 | < R2 > | .170424 | < 1/R > | 3.475442 | < 1/R**2 > | 16.736525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.403522 | .38927519 |
| 2 | 2s | 7.587159 | -.83182999 |
| 3 | 3s | 6.768731 | -.30038522 |
| 4 | 4s | 30.491760 | .00176620 |
| 5 | 3s | 17.128683 | .00891186 |
| 6 | 2s | 4.163643 | -.01825529 |
| 7 | 4s | .844858 | -.00048155 |
| 8 | 5s | 78.492224 | .00000898 |
| 9 | 5s | .988221 | .00044901 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409194 | < R2 > | .197818 | < 1/R > | 3.580304 | < 1/R**2 > | 52.641211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587312 | 1.00954790 |
| 2 | 2s | 23.127644 | -.01669274 |
| 3 | 3s | 16.356810 | .01505393 |
| 4 | 4s | 28.626415 | -.00071854 |
| 5 | 4s | 11.731795 | .00448298 |
| 6 | 5s | 43.462177 | .00041670 |
| 7 | 5s | 13.418542 | -.00272316 |
| 8 | 2s | 28.655472 | -.00288863 |
| 9 | 2s | 72.241532 | .00005482 |
| 10 | 3s | 1.980872 | -.00000592 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086063 | < R2 > | .009948 | < 1/R > | 17.558768 | < 1/R**2 > | 621.433647 |
Total Energy= -512.38639564 a.u.
Kinetic Energy= 512.38911522 a.u.
Potential Energy= -1024.77551086 a.u.
Virial Ratio = -1.99999469