(1s 1 3d 1 ) 1 D Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 5.665853 | 1.00012312 |
| 2 | 3d | 13.675710 | -.00023900 |
| 3 | 4d | 58.531038 | .00001787 |
| ORB.ENERGY,a.u. | -16.764000 | ||
| NORM | 1.000000 | < R > | .617798 | < R2 > | .436182 | < 1/R > | 1.888296 | < 1/R**2 > | 4.278335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.774740 | .88944827 |
| 2 | 1s | 20.408590 | .10537388 |
| 3 | 2s | 18.067476 | .01045457 |
| 4 | 3s | 18.280301 | -.00524268 |
| 5 | 4s | 20.557837 | .00011679 |
| 6 | 5s | 22.241935 | .00022496 |
| ORB.ENERGY,a.u. | -160.760000 |
| NORM | 1.000000 | < R > | .083330 | < R2 > | .009258 | < 1/R > | 18.000433 | < 1/R**2 > | 648.023301 |
Total Energy= -178.08794082 a.u.
Kinetic Energy= 178.05328679 a.u.
Potential Energy= -356.14122761 a.u.
Virial Ratio = -2.00019463