(1s 2 2s 2 2p 4 3d 1 ) 4 F Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
1 | 3d | 3.551069 | 1.11051643 |
2 | 3d | 8.376570 | .03755058 |
3 | 4d | 4.399102 | -.13760517 |
4 | 5d | 27.321997 | -.00016303 |
5 | 5d | 3.249391 | .00744150 |
ORB.ENERGY,a.u. | -5.846200 |
NORM | 1.000000 | < R > | .966703 | < R2 > | 1.081148 | < 1/R > | 1.228258 | < 1/R**2 > | 1.856884 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.459779 | 1.14532525 |
2 | 3p | 7.263800 | -.22472606 |
3 | 2p | 13.563881 | .07377140 |
4 | 4p | 16.010847 | .01137379 |
5 | 5p | 45.828578 | -.00012019 |
6 | 5p | 4.875265 | .00045694 |
ORB.ENERGY,a.u. | -18.507000 |
NORM | 1.000000 | < R > | .349275 | < R2 > | .149163 | < 1/R > | 3.659924 | < 1/R**2 > | 18.347688 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.162728 | .41509390 |
2 | 2s | 7.819310 | -.86009551 |
3 | 3s | 7.339241 | -.30123283 |
4 | 4s | 12.892100 | .00382338 |
5 | 3s | 17.403454 | .01471925 |
6 | 5s | 39.371117 | .00061623 |
7 | 5s | 7.171868 | -.01097746 |
8 | 3s | 65.414019 | -.00002766 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .394108 | < R2 > | .182683 | < 1/R > | 3.722788 | < 1/R**2 > | 56.566526 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.132907 | .91985100 |
2 | 1s | 24.600086 | .07653435 |
3 | 2s | 11.218103 | .02019022 |
4 | 3s | 13.638441 | -.02040546 |
5 | 4s | 16.396930 | .00883852 |
6 | 5s | 44.134688 | .00073624 |
7 | 4s | 106.513414 | -.00002276 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085837 | < R2 > | .009884 | < 1/R > | 17.588023 | < 1/R**2 > | 623.040248 |
Total Energy= -478.73958704 a.u.
Kinetic Energy= 478.76194120 a.u.
Potential Energy= -957.50152825 a.u.
Virial Ratio = -1.99995331