RETURN

(1s 2 2s 2 2p 4 5p 1 ) 4 P             Ar 9+

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

Table 4151.

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 5p- electron
1 2p 5.212448 .26828512
2 3p 2.642169 -2.44734296
3 4p 2.341869 5.08407415
4 5p 2.096216 -3.51704107
5 2p 10.666867 .04971455
6 5p 17.107424 .00232479
7 4p 39.523607 -.00013376
8 2p 1.285260 .03534820
ORB.ENERGY,a.u. -2.224400
NORM .999999
< R > 3.285473
< R2 > 12.136700
< 1/R > .439974
< 1/R**2 > .704481


j S nl j j ,r) C j
nl j α j 2p- electron
1 4p 16.392132 .01084110
2 2p 6.514730 1.12589892
3 3p 7.271556 -.20247551
4 2p 13.654778 .07257787
5 5p 42.558908 -.00012360
6 5p 1.578766 .00050607
7 4p 3.630046 -.00091484
ORB.ENERGY,a.u. -19.340000
NORM 1.000000
< R > .347909
< R2 > .147777
< 1/R > 3.669656
< 1/R**2 > 18.426792


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.150130 .41654399
2 2s 7.824514 -.86279174
3 3s 7.306850 -.30259904
4 4s 14.690337 .00337085
5 3s 17.577889 .01390564
6 5s 38.741223 .00071457
7 5s 7.258631 -.00462848
8 3s 72.899541 -.00002656
ORB.ENERGY,a.u. -20.023000
NORM 1.000000
< R > .393125
< R2 > .181631
< 1/R > 3.731168
< 1/R**2 > 56.795875


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.131991 .92015085
2 1s 24.627776 .07623926
3 2s 11.257375 .02015102
4 3s 13.625457 -.02041315
5 4s 16.327133 .00894267
6 5s 44.119331 .00069377
7 4s 102.372270 -.00002573
ORB.ENERGY,a.u. -127.520000
NORM 1.000000
< R > .085844
< R2 > .009886
< 1/R > 17.586936
< 1/R**2 > 622.978480


Total Energy= -475.12149162 a.u.

Kinetic Energy= 475.13778064 a.u.

Potential Energy= -950.25927226 a.u.

Virial Ratio = -1.99996572

***** TESTING *****

1.0 - <5p 5p> = .6547E-06

1.0 - <2p 2p> = .2733E-07

1.0 - <2s 2s> = -.8670E-08

1.0 - <1s 1s> = .2395E-07

<5p 2p> = .1029E-04

<2s 1s> = .8162E-06

RETURN