(1s 2 2s 2 2p 1 5p 1 ) 1 S Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5.991730 | .31754081 |
| 2 | 3p | 3.028221 | -3.29885595 |
| 3 | 4p | 2.655500 | 9.38841420 |
| 4 | 5p | 2.651129 | -6.84470267 |
| 5 | 2p | 17.672856 | .00246818 |
| 6 | 5p | 9.806680 | .03522395 |
| 7 | 5p | 4.691673 | -.30751703 |
| 8 | 4p | 19.939517 | .00072264 |
| ORB.ENERGY,a.u. | -3.515800 | ||
| NORM | 1.000002 | < R > | 2.695711 | < R2 > | 8.175968 | < 1/R > | .503778 | < 1/R**2 > | .641443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.828877 | 1.12953967 |
| 2 | 3p | 1.992406 | -.53880229 |
| 3 | 3p | 10.832046 | -.12438088 |
| 4 | 4p | 3.025459 | .24014826 |
| 5 | 5p | 3.299527 | .24374629 |
| 6 | 5p | 16.931885 | .00999068 |
| 7 | 4p | 34.186841 | -.00125511 |
| 8 | 5p | 2.125978 | .06211778 |
| 9 | 3p | 47.345450 | -.00014181 |
| ORB.ENERGY,a.u. | -27.175000 | ||
| NORM | 1.000000 | < R > | .324973 | < R2 > | .152628 | < 1/R > | 3.977253 | < 1/R**2 > | 21.346371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.369563 | .39065150 |
| 2 | 2s | 7.032351 | -.81730845 |
| 3 | 3s | 10.038637 | -.28747556 |
| 4 | 4s | 33.218766 | .00126261 |
| 5 | 5s | 19.388169 | -.00793116 |
| 6 | 5s | 7.763008 | .01726366 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371548 | < R2 > | .161405 | < 1/R > | 3.962180 | < 1/R**2 > | 63.418438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.200855 | .93936856 |
| 2 | 1s | 26.395833 | .05731362 |
| 3 | 2s | 15.937400 | .02010994 |
| 4 | 3s | 19.448948 | -.01414712 |
| 5 | 4s | 87.945572 | -.00005828 |
| 6 | 5s | 41.295424 | .00064191 |
| 7 | 4s | 7.617892 | .00002789 |
| 8 | 2s | 22.244964 | -.00025114 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085406 | < R2 > | .009764 | < 1/R > | 17.645057 | < 1/R**2 > | 626.185618 |
Total Energy= -408.76403203 a.u.
Kinetic Energy= 408.72389885 a.u.
Potential Energy= -817.48793089 a.u.
Virial Ratio = -2.00009819