(1s 2 2s 2 2p 2 ) 1 S P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 5.935466 | 1.10966662 |
| 2 | 3p | 7.697232 | -.13553081 |
| 3 | 2p | 13.572461 | .02053667 |
| 4 | 5p | 18.712963 | .00355153 |
| 5 | 4p | 37.982919 | -.00008134 |
| 6 | 5p | 6.221454 | .01569202 |
| 7 | 4p | 5.923293 | -.00269966 |
| ORB.ENERGY,a.u. | -14.980000 | ||
| NORM | 1.000000 | < R > | .414573 | < R2 > | .209376 | < 1/R > | 3.072458 | < 1/R**2 > | 12.886729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.753546 | .37272142 |
| 2 | 2s | 5.757458 | -.83077483 |
| 3 | 3s | 7.337500 | -.28304406 |
| 4 | 4s | 28.301033 | .00102470 |
| 5 | 5s | 16.433477 | -.00960297 |
| 6 | 5s | 9.103292 | .03256297 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .466587 | < R2 > | .255234 | < 1/R > | 3.138255 | < 1/R**2 > | 39.981266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.113712 | .93875367 |
| 2 | 1s | 22.509740 | .06389179 |
| 3 | 2s | 12.867568 | .02084390 |
| 4 | 3s | 19.663109 | -.01287392 |
| 5 | 4s | 17.533924 | -.00919730 |
| 6 | 5s | 35.650719 | .00079470 |
| 7 | 5s | 9.956836 | .00024819 |
| 8 | 3s | 54.144574 | -.00009937 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103176 | < R2 > | .014273 | < 1/R > | 14.629312 | < 1/R**2 > | 431.141511 |
Total Energy= -291.69020878 a.u.
Kinetic Energy= 291.06472800 a.u.
Potential Energy= -582.75493677 a.u.
Virial Ratio = -2.00214894