(1s 1 5d 1 ) 1 D Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 3.400287 | 3.54943951 |
| 2 | 4d | 3.400200 | -8.84920209 |
| 3 | 5d | 3.399686 | 5.99506617 |
| 4 | 5d | 12.625351 | -.00020659 |
| 5 | 3d | 37.880331 | .00000817 |
| 6 | 4d | 20.942824 | -.00012280 |
| ORB.ENERGY,a.u. | -6.482600 | ||
| NORM | .999999 | < R > | 2.029684 | < R2 > | 4.672475 | < 1/R > | .679843 | < 1/R**2 > | .924106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.774523 | .88945733 |
| 2 | 1s | 20.408092 | .10537112 |
| 3 | 2s | 17.926497 | .01064345 |
| 4 | 3s | 18.617985 | -.00516233 |
| 5 | 4s | 13.117412 | -.00000304 |
| 6 | 5s | 24.857722 | .00004744 |
| ORB.ENERGY,a.u. | -162.000000 |
| NORM | 1.000000 | < R > | .083332 | < R2 > | .009259 | < 1/R > | 18.000115 | < 1/R**2 > | 648.006257 |
Total Energy= -167.78993790 a.u.
Kinetic Energy= 167.77937898 a.u.
Potential Energy= -335.56931689 a.u.
Virial Ratio = -2.00006293