(1s 2 2s 2 2p 5 4s 1 ) 1 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
1 | 1s | 15.112143 | .09057097 |
2 | 2s | 3.443443 | -1.28881008 |
3 | 3s | 3.362742 | 2.74808845 |
4 | 4s | 2.518410 | -1.88391087 |
5 | 5s | 4.897736 | -.20356706 |
6 | 4s | 15.072102 | -.01778477 |
7 | 5s | 28.639569 | -.00088480 |
8 | 4s | 42.917520 | -.00004374 |
9 | 5s | 1.680246 | .00156273 |
10 | 2s | 36.862654 | .00021016 |
ORB.ENERGY,a.u. | -3.187000 |
NORM | 1.000000 | < R > | 2.134809 | < R2 > | 5.117045 | < 1/R > | .660623 | < 1/R**2 > | 3.417138 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.380886 | 1.17441351 |
2 | 3p | 7.512705 | -.23654599 |
3 | 2p | 13.932094 | .06212678 |
4 | 4p | 17.101280 | .00802732 |
5 | 5p | 5.293714 | .00045308 |
6 | 5p | 41.556107 | -.00014749 |
ORB.ENERGY,a.u. | -16.984000 |
NORM | 1.000000 | < R > | .359150 | < R2 > | .158217 | < 1/R > | 3.573990 | < 1/R**2 > | 17.582732 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.611955 | .35269470 |
2 | 2s | 6.701036 | -.77507886 |
3 | 3s | 10.102170 | -.22629055 |
4 | 4s | 7.884239 | -.08617536 |
5 | 5s | 21.469308 | -.00718762 |
6 | 5s | 2.630240 | -.00656786 |
7 | 4s | 81.618582 | -.00002941 |
8 | 3s | 1.909815 | .00318978 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .400340 | < R2 > | .188797 | < 1/R > | 3.661033 | < 1/R**2 > | 54.844950 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.187613 | .93085334 |
2 | 1s | 25.427830 | .06379943 |
3 | 2s | 12.550614 | .02134478 |
4 | 3s | 16.244207 | -.01708348 |
5 | 4s | 19.045456 | .00707212 |
6 | 5s | 44.694900 | .00062495 |
7 | 3s | 66.384844 | -.00006377 |
8 | 5s | 2.403889 | .00166326 |
9 | 4s | 2.005443 | -.00141158 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085961 | < R2 > | .009920 | < 1/R > | 17.571862 | < 1/R**2 > | 622.151926 |
Total Energy= -493.67299552 a.u.
Kinetic Energy= 493.65838947 a.u.
Potential Energy= -987.33138499 a.u.
Virial Ratio = -2.00002959