RETURN

(1s 2 2s 2 2p 3 5p 1 ) 3 P             Ar 10+

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

Table 3151.

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 4.716058 .38008144
2 3p 2.762487 -2.97587391
3 4p 2.427262 6.51483651
4 5p 2.277977 -4.52103790
5 2p 10.919726 .04450715
6 5p 31.531969 -.00020016
7 4p 41.875863 -.00014117
ORB.ENERGY,a.u. -2.604400
NORM 1.000004
< R > 3.085827
< R2 > 10.709855
< 1/R > .463773
< 1/R**2 > .734505


j S nl j j ,r) C j
nl j α j 2p- electron
1 3p 31.683633 -.00064558
2 3p 1.668148 -.01582992
3 2p 7.178349 1.29321600
4 3p 8.904264 -.37229761
5 4p 10.729294 .07767221
6 5p 3.100718 .02863037
7 4p 2.563212 -.01316772
8 4p 27.270886 -.00219254
ORB.ENERGY,a.u. -22.322000
NORM 1.000000
< R > .336646
< R2 > .137941
< 1/R > 3.771981
< 1/R**2 > 19.346956


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.083879 .42794168
2 2s 7.910102 -.87182817
3 3s 7.696066 -.29201446
4 4s 30.807168 .00179657
5 3s 16.308480 .01624806
6 5s 7.805666 -.01117108
ORB.ENERGY,a.u. -21.808000
NORM 1.000000
< R > .385750
< R2 > .174546
< 1/R > 3.806551
< 1/R**2 > 58.926173


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.184390 .94511172
2 1s 26.903334 .05233602
3 2s 15.392864 .01876060
4 3s 21.570941 -.01475464
5 4s 32.444780 .00255792
6 5s 61.046866 .00010873
7 5s 12.744115 .00039478
ORB.ENERGY,a.u. -130.480000
NORM 1.000000
< R > .085716
< R2 > .009850
< 1/R > 17.603768
< 1/R**2 > 623.903574


Total Energy= -455.80477824 a.u.

Kinetic Energy= 455.78609813 a.u.

Potential Energy= -911.59087637 a.u.

Virial Ratio = -2.00004098

***** TESTING *****

1.0 - <5p 5p> = -.4091E-05

1.0 - <2p 2p> = -.1156E-07

1.0 - <2s 2s> = .2323E-07

1.0 - <1s 1s> = .8075E-08

<5p 2p> = -.1151E-05

<2s 1s> = .8532E-07

RETURN