(1s 2 2s 2 2p 5 3s 1 ) 3 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 14.342167 | .16875366 |
2 | 2s | 5.775969 | -.72521062 |
3 | 3s | 3.610462 | 1.32065297 |
4 | 4s | 12.153538 | -.01426453 |
5 | 5s | 7.153959 | -.04166349 |
6 | 4s | 3.129593 | -.00280354 |
7 | 5s | 21.035489 | -.00410122 |
8 | 5s | 105.944567 | -.00000790 |
ORB.ENERGY,a.u. | -6.270300 |
NORM | 1.000000 | < R > | 1.095617 | < R2 > | 1.360105 | < 1/R > | 1.286256 | < 1/R**2 > | 10.022288 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.309053 | 1.18690594 |
2 | 3p | 7.347530 | -.25426055 |
3 | 2p | 13.823385 | .06572750 |
4 | 4p | 16.932608 | .00836504 |
5 | 5p | 5.219368 | .00140490 |
6 | 5p | 42.296370 | -.00013858 |
ORB.ENERGY,a.u. | -16.603000 |
NORM | 1.000000 | < R > | .360045 | < R2 > | .159142 | < 1/R > | 3.567396 | < 1/R**2 > | 17.526273 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.763163 | .34655299 |
2 | 2s | 6.482482 | -.78704073 |
3 | 3s | 10.330274 | -.23054783 |
4 | 4s | 8.294215 | -.06017249 |
5 | 5s | 21.980795 | -.00640845 |
6 | 5s | 4.793420 | -.00493615 |
7 | 4s | 73.203659 | -.00003581 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .401959 | < R2 > | .190595 | < 1/R > | 3.648740 | < 1/R**2 > | 54.525342 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.185881 | .93141141 |
2 | 1s | 25.182415 | .06451076 |
3 | 2s | 10.331116 | .02171772 |
4 | 3s | 12.707588 | -.02246425 |
5 | 4s | 15.980729 | .01070378 |
6 | 5s | 43.054664 | .00056428 |
7 | 4s | 91.588020 | -.00004297 |
8 | 5s | 4.659153 | .00015165 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085957 | < R2 > | .009918 | < 1/R > | 17.572310 | < 1/R**2 > | 622.171943 |
Total Energy= -496.71183788 a.u.
Kinetic Energy= 496.72843763 a.u.
Potential Energy= -993.44027551 a.u.
Virial Ratio = -1.99996658