(1s 2 2s 2 2p 4 3s 1 ) 2 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
1 | 1s | 14.322799 | .16960054 |
2 | 2s | 5.465356 | -.83958274 |
3 | 3s | 3.815504 | 1.40944873 |
4 | 4s | 15.762803 | -.00903561 |
5 | 5s | 90.392650 | -.00000867 |
6 | 5s | 3.313013 | -.01926254 |
7 | 4s | 29.937538 | .00053895 |
8 | 4s | 2.471963 | .01501441 |
9 | 3s | 1.839813 | -.00539459 |
ORB.ENERGY,a.u. | -7.247100 |
NORM | 1.000000 | < R > | 1.056114 | < R2 > | 1.256557 | < 1/R > | 1.311892 | < 1/R**2 > | 10.096756 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.497913 | 1.12890793 |
2 | 3p | 7.256243 | -.20464244 |
3 | 2p | 13.666652 | .07222199 |
4 | 5p | 43.782256 | -.00012814 |
5 | 4p | 16.580862 | .01006061 |
ORB.ENERGY,a.u. | -18.506000 |
NORM | 1.000000 | < R > | .348880 | < R2 > | .148670 | < 1/R > | 3.661117 | < 1/R**2 > | 18.349863 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.574080 | .36232490 |
2 | 2s | 6.750642 | -.79583648 |
3 | 3s | 9.888979 | -.24845155 |
4 | 4s | 7.792136 | -.04806034 |
5 | 5s | 21.492707 | -.00794938 |
6 | 4s | 4.936906 | .01103757 |
7 | 2s | 21.711064 | .00033488 |
8 | 3s | 2.884882 | .00283143 |
9 | 3s | 55.803140 | -.00006046 |
10 | 5s | 2.406528 | -.00017184 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .390982 | < R2 > | .179261 | < 1/R > | 3.748529 | < 1/R**2 > | 57.264026 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.171087 | .91016331 |
2 | 1s | 23.832789 | .08419357 |
3 | 2s | 8.371392 | .02958013 |
4 | 3s | 6.482858 | -.04461535 |
5 | 4s | 7.356861 | .03118634 |
6 | 5s | 45.897523 | .00072045 |
7 | 4s | 15.678171 | -.00499817 |
8 | 5s | 4.133159 | -.00022908 |
9 | 3s | 77.108808 | -.00003390 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085862 | < R2 > | .009892 | < 1/R > | 17.584662 | < 1/R**2 > | 622.850979 |
Total Energy= -480.20132267 a.u.
Kinetic Energy= 480.13781632 a.u.
Potential Energy= -960.33913898 a.u.
Virial Ratio = -2.00013227