(1s 2 2s 2 2p 5 5p 1 ) 3 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5.143582 | .22655566 |
| 2 | 3p | 2.512706 | -1.99781462 |
| 3 | 4p | 2.076977 | 5.01611295 |
| 4 | 5p | 1.939197 | -3.64368936 |
| 5 | 5p | 1.753422 | -.22040768 |
| 6 | 2p | 10.646158 | .04818250 |
| 7 | 5p | 17.391021 | .00189471 |
| 8 | 4p | 40.449204 | -.00009914 |
| ORB.ENERGY,a.u. | -1.830000 | ||
| NORM | .999999 | < R > | 3.592136 | < R2 > | 14.508723 | < 1/R > | .401501 | < 1/R**2 > | .595477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.397240 | 1.17024561 |
| 2 | 3p | 7.558568 | -.23198590 |
| 3 | 2p | 13.921365 | .06194516 |
| 4 | 4p | 16.908534 | .00827748 |
| 5 | 5p | 4.287338 | .00115277 |
| 6 | 5p | 42.365798 | -.00013520 |
| 7 | 4p | 1.736268 | .00071541 |
| 8 | 3p | 2.070928 | -.00139445 |
| ORB.ENERGY,a.u. | -17.186000 | ||
| NORM | 1.000000 | < R > | .358927 | < R2 > | .158003 | < 1/R > | 3.575833 | < 1/R**2 > | 17.599029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.346907 | .39988634 |
| 2 | 2s | 7.678358 | -.84633305 |
| 3 | 3s | 7.014366 | -.30612817 |
| 4 | 4s | 19.076251 | .00512416 |
| 5 | 3s | 21.671112 | .00691487 |
| 6 | 5s | 37.633039 | .00048969 |
| 7 | 5s | 5.758361 | -.00336637 |
| 8 | 4s | 3.813642 | .00208979 |
| 9 | 3s | 2.619431 | -.00081512 |
| 10 | 2s | 77.776258 | .00001504 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400760 | < R2 > | .189160 | < 1/R > | 3.656810 | < 1/R**2 > | 54.725855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190273 | .93053563 |
| 2 | 1s | 25.176353 | .06482481 |
| 3 | 2s | 10.844399 | .02187801 |
| 4 | 3s | 13.382887 | -.02198446 |
| 5 | 4s | 16.613441 | .01066356 |
| 6 | 5s | 42.649366 | .00068231 |
| 7 | 4s | 99.727186 | -.00003417 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085959 | < R2 > | .009919 | < 1/R > | 17.572097 | < 1/R**2 > | 622.165633 |
Total Energy= -492.30315855 a.u.
Kinetic Energy= 492.30813638 a.u.
Potential Energy= -984.61129493 a.u.
Virial Ratio = -1.99998989