(1s 2 2s 2 5s 1 ) 2 S Cl 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 12.401096 | .11165128 |
| 2 | 2s | 2.826164 | -2.89546974 |
| 3 | 3s | 2.898299 | 10.05564444 |
| 4 | 4s | 2.926937 | -11.65192315 |
| 5 | 5s | 2.667813 | 4.95249289 |
| 6 | 5s | 19.061439 | -.00508955 |
| 7 | 4s | 9.424189 | -.04970485 |
| 8 | 5s | 1.855763 | .01561289 |
| 9 | 4s | 1.411904 | -.00699259 |
| ORB.ENERGY,a.u. | -3.607900 | ||
| NORM | .999997 | < R > | 2.711480 | < R2 > | 8.229042 | < 1/R > | .541687 | < 1/R**2 > | 2.915578 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.168292 | .41024390 |
| 2 | 2s | 7.214853 | -.76794130 |
| 3 | 3s | 8.817928 | -.32952701 |
| 4 | 5s | 16.467644 | -.01774941 |
| 5 | 4s | 31.782448 | .00128743 |
| 6 | 5s | 7.697068 | -.00589255 |
| 7 | 5s | 22.510830 | -.00271127 |
| 8 | 4s | 5.857866 | .00154201 |
| 9 | 3s | 54.382203 | .00002736 |
| ORB.ENERGY,a.u. | -26.976000 | ||
| NORM | 1.000000 | < R > | .388323 | < R2 > | .176084 | < 1/R > | 3.792651 | < 1/R**2 > | 57.920044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.138722 | .93901471 |
| 2 | 1s | 25.704374 | .05960482 |
| 3 | 2s | 17.685582 | .01969214 |
| 4 | 3s | 19.636479 | -.01665346 |
| 5 | 5s | 39.043285 | .00086440 |
| 6 | 4s | 87.592010 | -.00005005 |
| 7 | 5s | 19.698199 | -.00062349 |
| ORB.ENERGY,a.u. | -127.580000 |
| NORM | 1.000000 | < R > | .090356 | < R2 > | .010922 | < 1/R > | 16.669907 | < 1/R**2 > | 558.712362 |
Total Energy= -338.95735708 a.u.
Kinetic Energy= 338.95739663 a.u.
Potential Energy= -677.91475371 a.u.
Virial Ratio = -1.99999988