(1s 2 2s 2 3s 1 ) 2 S Cl 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 12.561226 | .24468400 |
| 2 | 2s | 4.996033 | -1.50210431 |
| 3 | 3s | 4.599235 | 2.06349350 |
| 4 | 4s | 9.500308 | -.07572207 |
| 5 | 5s | 17.453313 | -.01083390 |
| 6 | 4s | 33.755607 | .00068197 |
| 7 | 5s | 4.098442 | -.00363580 |
| 8 | 4s | 2.707053 | .00066746 |
| 9 | 3s | 65.106694 | .00001468 |
| ORB.ENERGY,a.u. | -10.533000 | ||
| NORM | 1.000000 | < R > | .935082 | < R2 > | .990449 | < 1/R > | 1.554895 | < 1/R**2 > | 14.510380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.224513 | .40714685 |
| 2 | 2s | 6.995139 | -.80984174 |
| 3 | 3s | 9.266970 | -.28730627 |
| 4 | 5s | 16.793586 | -.01220726 |
| 5 | 4s | 32.583364 | .00278678 |
| 6 | 5s | 46.445831 | -.00047229 |
| 7 | 5s | 11.621275 | -.00651705 |
| 8 | 4s | 3.985834 | -.00061746 |
| ORB.ENERGY,a.u. | -26.587000 | ||
| NORM | 1.000000 | < R > | .389122 | < R2 > | .176933 | < 1/R > | 3.785953 | < 1/R**2 > | 57.745812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.137432 | .93891246 |
| 2 | 1s | 25.709678 | .05963242 |
| 3 | 2s | 17.707851 | .01967906 |
| 4 | 3s | 19.720708 | -.01645623 |
| 5 | 5s | 39.449335 | .00086471 |
| 6 | 4s | 89.206275 | -.00004614 |
| 7 | 5s | 20.291602 | -.00066424 |
| 8 | 4s | 4.604346 | -.00005082 |
| ORB.ENERGY,a.u. | -126.690000 |
| NORM | 1.000000 | < R > | .090371 | < R2 > | .010926 | < 1/R > | 16.668010 | < 1/R**2 > | 558.606148 |
Total Energy= -345.85630598 a.u.
Kinetic Energy= 345.85630180 a.u.
Potential Energy= -691.71260777 a.u.
Virial Ratio = -2.00000001