(1s 1 4p 1 ) 3 P Ar 16+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 8.193669 | .45917518 |
| 2 | 3p | 4.200657 | -1.03554860 |
| 3 | 5p | 4.549249 | 1.79463263 |
| 4 | 4p | 6.346646 | -.54060974 |
| 5 | 5p | 12.240077 | .01237536 |
| 6 | 4p | 27.031827 | -.00122528 |
| 7 | 5p | 3.771374 | .05470769 |
| 8 | 5p | 27.577999 | -.00008848 |
| 9 | 3p | 38.892090 | -.00012009 |
| ORB.ENERGY,a.u. | -9.791800 | ||
| NORM | 1.000000 | < R > | 1.346054 | < R2 > | 2.055164 | < 1/R > | 1.069263 | < 1/R**2 > | 3.075035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.770864 | .88952498 |
| 2 | 1s | 20.391253 | .10548916 |
| 3 | 2s | 18.372725 | .00951632 |
| 4 | 3s | 17.445129 | -.00535884 |
| 5 | 4s | 22.508013 | .00055280 |
| 6 | 5s | 20.782452 | .00085004 |
| ORB.ENERGY,a.u. | -161.670000 |
| NORM | 1.000000 | < R > | .083357 | < R2 > | .009265 | < 1/R > | 17.996057 | < 1/R**2 > | 647.766289 |
Total Energy= -171.06096317 a.u.
Kinetic Energy= 171.07603971 a.u.
Potential Energy= -342.13700288 a.u.
Virial Ratio = -1.99991187