(1s 2 2s 2 2p 5 3s 1 ) 1 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 14.477522 | .15756643 |
2 | 2s | 5.519212 | -.74170805 |
3 | 3s | 3.597480 | 1.34640563 |
4 | 4s | 15.874860 | -.00989391 |
5 | 5s | 6.576485 | -.03146492 |
6 | 5s | 88.738601 | -.00001526 |
7 | 4s | 28.664829 | .00035408 |
8 | 4s | 8.054387 | .00011628 |
ORB.ENERGY,a.u. | -6.207000 |
NORM | 1.000000 | < R > | 1.110707 | < R2 > | 1.391395 | < 1/R > | 1.241928 | < 1/R**2 > | 9.065362 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.337986 | 1.18298462 |
2 | 3p | 7.418666 | -.24691581 |
3 | 2p | 13.910631 | .06338971 |
4 | 4p | 17.314674 | .00785806 |
5 | 5p | 5.183191 | .00100199 |
6 | 5p | 40.640262 | -.00016206 |
ORB.ENERGY,a.u. | -16.540000 |
NORM | 1.000000 | < R > | .359970 | < R2 > | .159027 | < 1/R > | 3.567551 | < 1/R**2 > | 17.527017 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.711375 | .35003203 |
2 | 2s | 6.556407 | -.78658571 |
3 | 3s | 10.287419 | -.22725477 |
4 | 4s | 8.272098 | -.06913616 |
5 | 5s | 21.797341 | -.00680798 |
6 | 5s | 4.416155 | .00521233 |
7 | 4s | 75.267970 | -.00003232 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .399187 | < R2 > | .187369 | < 1/R > | 3.668901 | < 1/R**2 > | 55.046168 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.163599 | .92197264 |
2 | 1s | 24.546689 | .07355902 |
3 | 2s | 8.995014 | .02657271 |
4 | 3s | 7.509970 | -.04138121 |
5 | 4s | 8.473557 | .02785936 |
6 | 5s | 26.853718 | -.00160736 |
7 | 4s | 61.142346 | -.00013066 |
8 | 5s | 3.688572 | -.00024382 |
9 | 3s | 66.349116 | -.00008846 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085971 | < R2 > | .009923 | < 1/R > | 17.570596 | < 1/R**2 > | 622.080579 |
Total Energy= -496.71022346 a.u.
Kinetic Energy= 496.66558530 a.u.
Potential Energy= -993.37580876 a.u.
Virial Ratio = -2.00008988