(1s 2 2s 2 2p 4 4s 1 ) 2 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 14.534739 | .10346511 |
2 | 2s | 3.480843 | -1.53181144 |
3 | 3s | 3.499589 | 3.12907280 |
4 | 4s | 2.732770 | -2.07018929 |
5 | 5s | 5.045118 | -.15954404 |
6 | 4s | 15.638968 | -.01123310 |
7 | 5s | 31.155055 | -.00044343 |
8 | 5s | 2.315510 | .00646260 |
9 | 4s | 51.733704 | -.00011250 |
ORB.ENERGY,a.u. | -3.783400 |
NORM | 1.000000 | < R > | 1.996976 | < R2 > | 4.477094 | < 1/R > | .709657 | < 1/R**2 > | 3.933747 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.506859 | 1.12972644 |
2 | 3p | 7.289417 | -.20546532 |
3 | 2p | 13.627155 | .07264875 |
4 | 4p | 16.265934 | .01059737 |
5 | 5p | 45.246770 | -.00012356 |
6 | 5p | 6.652841 | -.00176562 |
ORB.ENERGY,a.u. | -19.067000 |
NORM | 1.000000 | < R > | .348111 | < R2 > | .147959 | < 1/R > | 3.667789 | < 1/R**2 > | 18.409551 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.495011 | .36407148 |
2 | 2s | 6.838929 | -.78658994 |
3 | 3s | 9.887291 | -.24295828 |
4 | 4s | 7.840299 | -.06508951 |
5 | 5s | 21.275722 | -.00775540 |
6 | 5s | 2.961356 | -.00616476 |
7 | 3s | 4.236859 | .00779453 |
8 | 3s | 63.273810 | -.00007136 |
9 | 4s | 116.323344 | .00001048 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .392601 | < R2 > | .181207 | < 1/R > | 3.736835 | < 1/R**2 > | 56.959203 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.140066 | .92041489 |
2 | 1s | 24.523311 | .07617865 |
3 | 2s | 9.856487 | .02249464 |
4 | 3s | 11.808709 | -.02306090 |
5 | 4s | 14.494875 | .00899960 |
6 | 5s | 44.934506 | .00054215 |
7 | 4s | 91.673664 | -.00003578 |
8 | 5s | 3.271935 | .00136252 |
9 | 4s | 3.237468 | -.00116074 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085848 | < R2 > | .009888 | < 1/R > | 17.586483 | < 1/R**2 > | 622.952861 |
Total Energy= -476.71026614 a.u.
Kinetic Energy= 476.68892234 a.u.
Potential Energy= -953.39918848 a.u.
Virial Ratio = -2.00004478