(1s 1 5p 1 ) 3 P Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 2.631152 | 5.67222185 |
| 2 | 3p | 4.208482 | -6.86823940 |
| 3 | 4p | 3.058881 | 9.82627847 |
| 4 | 5p | 3.275604 | -10.08761610 |
| 5 | 5p | 8.681275 | .03914976 |
| 6 | 4p | 20.159552 | -.00412888 |
| 7 | 5p | 46.302907 | -.00038151 |
| 8 | 4p | 1.365995 | -.00788930 |
| 9 | 4p | 72.385159 | -.00007063 |
| 10 | 5p | 1.379435 | .00396996 |
| ORB.ENERGY,a.u. | -6.510900 | ||
| NORM | 1.000002 | < R > | 2.138492 | < R2 > | 5.149073 | < 1/R > | .683389 | < 1/R**2 > | 1.571343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.772570 | .88947563 |
| 2 | 1s | 20.406350 | .10539658 |
| 3 | 2s | 17.956229 | .01040997 |
| 4 | 3s | 18.314050 | -.00525320 |
| 5 | 4s | 20.747671 | .00016779 |
| 6 | 5s | 23.042199 | .00021840 |
| ORB.ENERGY,a.u. | -162.030000 |
| NORM | 1.000000 | < R > | .083345 | < R2 > | .009262 | < 1/R > | 17.998040 | < 1/R**2 > | 647.883472 |
Total Energy= -167.79517620 a.u.
Kinetic Energy= 167.80271198 a.u.
Potential Energy= -335.59788818 a.u.
Virial Ratio = -1.99995509