(1s 2 2s 2 2p 5 4p 1 ) 1 S Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
1 | 2p | 8.546633 | .16127979 |
2 | 3p | 1.963976 | 2.47806601 |
3 | 4p | 3.442935 | -1.93673468 |
4 | 5p | 6.073209 | -.19568705 |
5 | 3p | 13.071042 | -.00880637 |
6 | 5p | 1.852209 | -.14899764 |
7 | 4p | 1.170218 | .04813937 |
8 | 5p | 25.637038 | .00036791 |
9 | 3p | .954484 | -.03545159 |
ORB.ENERGY,a.u. | -2.834000 |
NORM | 1.000000 | < R > | 2.287541 | < R2 > | 5.907373 | < 1/R > | .591591 | < 1/R**2 > | .889281 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.593747 | 1.17270734 |
2 | 3p | 8.385505 | -.23659452 |
3 | 2p | 13.731593 | .05034777 |
4 | 4p | 12.116285 | .02107667 |
5 | 5p | 2.685048 | .03543199 |
6 | 4p | 2.638045 | -.02481807 |
7 | 5p | 23.160942 | .00272004 |
8 | 3p | 1.039170 | .00020107 |
9 | 3p | 26.998961 | -.00010316 |
ORB.ENERGY,a.u. | -16.831000 |
NORM | 1.000000 | < R > | .358225 | < R2 > | .158053 | < 1/R > | 3.581615 | < 1/R**2 > | 17.640777 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.313845 | .40107363 |
2 | 2s | 7.683854 | -.84713117 |
3 | 3s | 7.003522 | -.30667711 |
4 | 4s | 17.996190 | .00323696 |
5 | 3s | 19.544035 | .00826694 |
6 | 5s | 37.974472 | .00063245 |
7 | 5s | 5.828600 | -.00302993 |
8 | 4s | 3.900422 | .00090616 |
9 | 3s | 63.419971 | -.00003813 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .400961 | < R2 > | .189367 | < 1/R > | 3.654978 | < 1/R**2 > | 54.675665 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.189635 | .93092546 |
2 | 1s | 25.217449 | .06446430 |
3 | 2s | 10.909059 | .02178882 |
4 | 3s | 13.407935 | -.02193225 |
5 | 4s | 16.558967 | .01073082 |
6 | 5s | 42.912041 | .00062887 |
7 | 4s | 94.730055 | -.00003738 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085962 | < R2 > | .009920 | < 1/R > | 17.571664 | < 1/R**2 > | 622.142013 |
Total Energy= -493.40363470 a.u.
Kinetic Energy= 493.31152150 a.u.
Potential Energy= -986.71515620 a.u.
Virial Ratio = -2.00018672