(1s 1 3d 1 ) 3 D Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 5.669323 | 1.00172630 |
| 2 | 3d | 20.706438 | .00029949 |
| 3 | 4d | 7.407327 | -.00180991 |
| ORB.ENERGY,a.u. | -16.771000 | ||
| NORM | 1.000000 | < R > | .617324 | < R2 > | .435576 | < 1/R > | 1.890232 | < 1/R**2 > | 4.289135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.773655 | .88946475 |
| 2 | 1s | 20.407594 | .10537853 |
| 3 | 2s | 17.875660 | .01065321 |
| 4 | 3s | 18.811428 | -.00512153 |
| 5 | 4s | 37.387065 | .00001410 |
| 6 | 5s | 13.248721 | .00004370 |
| ORB.ENERGY,a.u. | -160.770000 |
| NORM | 1.000000 | < R > | .083342 | < R2 > | .009262 | < 1/R > | 17.998984 | < 1/R**2 > | 647.945973 |
Total Energy= -178.08817890 a.u.
Kinetic Energy= 178.06013509 a.u.
Potential Energy= -356.14831399 a.u.
Virial Ratio = -2.00015750