(1s 2 2s 2 2p 4 3p 1 ) 2 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
1 | 2p | 5.444786 | .47602352 |
2 | 3p | 3.559066 | -1.00490810 |
3 | 4p | 4.167099 | -.21160806 |
4 | 2p | 11.547123 | .06878082 |
5 | 5p | 19.692395 | .00131082 |
6 | 5p | 44.854745 | -.00016208 |
7 | 4p | 66.512115 | -.00003028 |
ORB.ENERGY,a.u. | -6.450400 |
NORM | 1.000000 | < R > | 1.094673 | < R2 > | 1.353448 | < 1/R > | 1.182352 | < 1/R**2 > | 2.777307 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.952138 | 1.35343751 |
2 | 3p | 8.680847 | -.45593620 |
3 | 4p | 10.115854 | .10064949 |
4 | 5p | 4.614853 | -.01608627 |
5 | 5p | 16.607515 | .00391853 |
6 | 4p | 29.802953 | -.00142703 |
7 | 4p | 3.138442 | -.00169793 |
8 | 3p | 34.849317 | -.00037055 |
ORB.ENERGY,a.u. | -18.342000 |
NORM | 1.000000 | < R > | .344752 | < R2 > | .144219 | < 1/R > | 3.686818 | < 1/R**2 > | 18.546810 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.216965 | .41257034 |
2 | 2s | 7.775795 | -.85897126 |
3 | 3s | 7.385124 | -.29994011 |
4 | 4s | 12.055888 | .00493098 |
5 | 3s | 17.243153 | .01422794 |
6 | 5s | 39.131749 | .00069413 |
7 | 5s | 6.971876 | -.01064343 |
8 | 3s | 74.400845 | -.00002433 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .394156 | < R2 > | .182687 | < 1/R > | 3.721614 | < 1/R**2 > | 56.532011 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.131956 | .92040766 |
2 | 1s | 24.667212 | .07583552 |
3 | 2s | 11.454313 | .01994240 |
4 | 3s | 13.776321 | -.02006225 |
5 | 4s | 16.386942 | .00908809 |
6 | 5s | 43.887499 | .00067641 |
7 | 4s | 100.848120 | -.00002812 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085862 | < R2 > | .009891 | < 1/R > | 17.584557 | < 1/R**2 > | 622.846447 |
Total Energy= -479.52547793 a.u.
Kinetic Energy= 479.35909699 a.u.
Potential Energy= -958.88457492 a.u.
Virial Ratio = -2.00034709