RETURN

(1s 2 2s 2 2p 4 3d 1 ) 4 F             Ar 9+

F( r ) = Σ j   C j   S nl ( α j ,r) Y l,m ( r )

Table 4332.

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 3d- electron
1 3d 3.551069 1.11051643
2 3d 8.376570 .03755058
3 4d 4.399102 -.13760517
4 5d 27.321997 -.00016303
5 5d 3.249391 .00744150
ORB.ENERGY,a.u. -5.846200
NORM 1.000000
< R > .966703
< R2 > 1.081148
< 1/R > 1.228258
< 1/R**2 > 1.856884


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.459779 1.14532525
2 3p 7.263800 -.22472606
3 2p 13.563881 .07377140
4 4p 16.010847 .01137379
5 5p 45.828578 -.00012019
6 5p 4.875265 .00045694
ORB.ENERGY,a.u. -18.507000
NORM 1.000000
< R > .349275
< R2 > .149163
< 1/R > 3.659924
< 1/R**2 > 18.347688


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.162728 .41509390
2 2s 7.819310 -.86009551
3 3s 7.339241 -.30123283
4 4s 12.892100 .00382338
5 3s 17.403454 .01471925
6 5s 39.371117 .00061623
7 5s 7.171868 -.01097746
8 3s 65.414019 -.00002766
ORB.ENERGY,a.u. -20.023000
NORM 1.000000
< R > .394108
< R2 > .182683
< 1/R > 3.722788
< 1/R**2 > 56.566526


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.132907 .91985100
2 1s 24.600086 .07653435
3 2s 11.218103 .02019022
4 3s 13.638441 -.02040546
5 4s 16.396930 .00883852
6 5s 44.134688 .00073624
7 4s 106.513414 -.00002276
ORB.ENERGY,a.u. -127.520000
NORM 1.000000
< R > .085837
< R2 > .009884
< 1/R > 17.588023
< 1/R**2 > 623.040248


Total Energy= -478.73958704 a.u.

Kinetic Energy= 478.76194120 a.u.

Potential Energy= -957.50152825 a.u.

Virial Ratio = -1.99995331

***** TESTING *****

1.0 - <3d 3d> = -.1419E-07

1.0 - <2p 2p> = -.6336E-08

1.0 - <2s 2s> = .2586E-07

1.0 - <1s 1s> = -.4354E-08

<2s 1s> = .1316E-05

RETURN