RETURN

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

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

Table 4132.

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 3.522284 1.10061632
2 3d 8.395612 .03731324
3 4d 4.362885 -.12666812
4 5d 28.234127 -.00014069
5 5d 3.242128 .00666635
ORB.ENERGY,a.u. -5.801500
NORM 1.000000
< R > .974833
< R2 > 1.098902
< 1/R > 1.217507
< 1/R**2 > 1.824116


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.494522 1.13567525
2 3p 7.281933 -.21333992
3 2p 13.724220 .07081585
4 4p 16.436271 .01173556
5 5p 6.744886 .00243246
6 4p 3.204353 .00015125
7 3p 53.672183 .00002996
ORB.ENERGY,a.u. -18.462000
NORM 1.000000
< R > .349137
< R2 > .149038
< 1/R > 3.661148
< 1/R**2 > 18.358603


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.162868 .41511027
2 2s 7.819528 -.86014122
3 3s 7.340982 -.30123653
4 4s 12.994814 .00387077
5 3s 17.390643 .01470045
6 5s 39.318553 .00065398
7 5s 7.167822 -.01096863
8 3s 69.682603 -.00002121
ORB.ENERGY,a.u. -20.023000
NORM 1.000000
< R > .394086
< R2 > .182661
< 1/R > 3.722984
< 1/R**2 > 56.572087


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.132907 .91984916
2 1s 24.599490 .07653605
3 2s 11.214844 .02019607
4 3s 13.636714 -.02040800
5 4s 16.398944 .00883761
6 5s 44.105751 .00073545
7 4s 106.498385 -.00002324
ORB.ENERGY,a.u. -127.520000
NORM 1.000000
< R > .085837
< R2 > .009884
< 1/R > 17.587961
< 1/R**2 > 623.036711


Total Energy= -478.74012289 a.u.

Kinetic Energy= 478.71714412 a.u.

Potential Energy= -957.45726702 a.u.

Virial Ratio = -2.00004800

***** TESTING *****

1.0 - <3d 3d> = -.9036E-08

1.0 - <2p 2p> = -.8551E-09

1.0 - <2s 2s> = .2362E-07

1.0 - <1s 1s> = .1315E-08

<2s 1s> = .8585E-06

RETURN