(1s 2 2s 2 2p 4 ) 1 D Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 7.070750 | 1.29270179 |
| 2 | 3p | 9.164272 | -.35362193 |
| 3 | 4p | 11.112823 | .05320060 |
| 4 | 5p | 6.952297 | .01125363 |
| 5 | 4p | 28.206027 | -.00132658 |
| 6 | 3p | 29.309756 | -.00064924 |
| ORB.ENERGY,a.u. | -19.454000 | ||
| NORM | 1.000000 | < R > | .348441 | < R2 > | .148288 | < 1/R > | 3.665866 | < 1/R**2 > | 18.398646 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.974937 | .42471834 |
| 2 | 2s | 7.816905 | -.90501696 |
| 3 | 3s | 7.166174 | -.28089450 |
| 4 | 4s | 43.128217 | -.00043947 |
| 5 | 3s | 18.294908 | .01964498 |
| 6 | 5s | 17.092684 | .01021236 |
| 7 | 3s | 54.714704 | -.00016519 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .392846 | < R2 > | .181360 | < 1/R > | 3.733943 | < 1/R**2 > | 56.874103 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.177452 | .94840827 |
| 2 | 1s | 27.264391 | .04951680 |
| 3 | 2s | 15.267272 | .01847469 |
| 4 | 3s | 22.214134 | -.01439561 |
| 5 | 4s | 34.120031 | .00225235 |
| 6 | 5s | 62.034046 | .00003768 |
| 7 | 5s | 13.314100 | .00076232 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085838 | < R2 > | .009885 | < 1/R > | 17.587767 | < 1/R**2 > | 623.024867 |
Total Energy= -472.91492623 a.u.
Kinetic Energy= 472.61786289 a.u.
Potential Energy= -945.53278912 a.u.
Virial Ratio = -2.00062855