(1s 2 4s 1 ) 2 S Ar 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 12.057677 | .20337725 |
| 2 | 2s | 4.824518 | -1.71298042 |
| 3 | 3s | 4.018129 | 5.34491262 |
| 4 | 4s | 4.021283 | -4.68701348 |
| 5 | 5s | 6.039572 | .28795712 |
| 6 | 4s | 10.786083 | -.08777153 |
| 7 | 5s | 34.250607 | .00123125 |
| 8 | 4s | 47.697160 | .00023233 |
| 9 | 5s | 2.406726 | .00059155 |
| ORB.ENERGY,a.u. | -8.209500 | ||
| NORM | 1.000000 | < R > | 1.466701 | < R2 > | 2.419965 | < 1/R > | 1.014494 | < 1/R**2 > | 8.257544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.379370 | .93924411 |
| 2 | 1s | 27.418481 | .04807633 |
| 3 | 2s | 21.984488 | .01737132 |
| 4 | 3s | 15.950149 | .00022833 |
| 5 | 4s | 54.759380 | -.00061039 |
| 6 | 5s | 63.655222 | .00021157 |
| 7 | 3s | 82.180651 | -.00005437 |
| ORB.ENERGY,a.u. | -150.440000 |
| NORM | 1.000000 | < R > | .085117 | < R2 > | .009686 | < 1/R > | 17.686273 | < 1/R**2 > | 628.557740 |
Total Energy= -321.04557368 a.u.
Kinetic Energy= 321.04557746 a.u.
Potential Energy= -642.09115113 a.u.
Virial Ratio = -1.99999999