RETURN

(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 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 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 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 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

***** TESTING *****

1.0 - <3s 3s> = .4604E-08

1.0 - <2p 2p> = .9343E-08

1.0 - <2s 2s> = -.6631E-08

1.0 - <1s 1s> = -.4875E-08

<3s 2s> = .8348E-06

<3s 1s> = .1465E-06

<2s 1s> = -.1138E-06

RETURN