RETURN

(1s 2 2s 2 2p 6 3s 2 3p 5 ) 4 P             Ar +

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

Table 4131.

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 3p- electron
1 2p 5.977309 .40855437
2 2p 1.601155 -.84922539
3 3p 2.944220 -.24050688
4 2p 14.559118 .01775700
5 4p 9.948191 -.04170674
6 5p 41.629995 -.00009442
7 5p 1.333528 -.00182652
8 3p 30.770792 -.00010581
ORB.ENERGY,a.u. -1.155800
NORM 1.000000
< R > 1.558457
< R2 > 2.860645
< 1/R > .863387
< 1/R**2 > 1.652652


j S nl j j ,r) C j
nl j α j 3s- electron
1 1s 4.883184 -.09979132
2 1s 13.728410 .15490956
3 2s 6.153644 -.36151998
4 3s 2.634838 .85397523
5 4s 4.689592 .19032903
6 3s 21.501638 .00240306
7 5s 2.341221 .08837056
8 4s 54.893892 -.00020437
9 2s .672132 .00020331
10 5s 72.518160 .00007940
ORB.ENERGY,a.u. -1.890200
NORM 1.000000
< R > 1.381493
< R2 > 2.202442
< 1/R > .988726
< 1/R**2 > 5.725192


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 9.905110 .47147961
2 3p 8.064757 .47526260
3 4p 6.696879 .14391334
4 5p 5.213340 .00984832
5 2p 19.992346 .00691911
6 5p 15.389874 -.00702168
7 3p 49.007506 .00003616
8 3p 2.030959 .00181393
ORB.ENERGY,a.u. -9.912200
NORM 1.000000
< R > .375608
< R2 > .174716
< 1/R > 3.448728
< 1/R**2 > 16.516883


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.468531 .38419125
2 2s 7.551012 -.80369075
3 3s 6.902353 -.26188465
4 4s 30.544589 .00179945
5 3s 17.194260 .00785694
6 2s 4.483393 -.07937247
7 5s 2.742484 -.00292448
8 4s 2.361698 .00260199
9 5s 80.393174 .00001098
ORB.ENERGY,a.u. -12.611000
NORM 1.000000
< R > .412086
< R2 > .201007
< 1/R > 3.556876
< 1/R**2 > 52.021065


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.580438 1.00986713
2 2s 22.431011 -.01729533
3 3s 14.908912 .01755618
4 4s 51.004332 -.00050616
5 4s 12.570410 .00288270
6 5s 60.111120 .00012192
7 5s 15.999978 -.00409556
8 2s 34.415432 -.00228169
9 2s 85.365632 .00004426
10 5s 3.874012 -.00003426
ORB.ENERGY,a.u. -118.470000
NORM 1.000000
< R > .086101
< R2 > .009959
< 1/R > 17.553534
< 1/R**2 > 621.142013


Total Energy= -526.27453234 a.u.

Kinetic Energy= 526.27453081 a.u.

Potential Energy= -1052.54906315 a.u.

Virial Ratio = -2.00000000

***** TESTING *****

1.0 - <3p 3p> = .3557E-07

1.0 - <3s 3s> = .2736E-07

1.0 - <2p 2p> = -.5974E-08

1.0 - <2s 2s> = -.1967E-08

1.0 - <1s 1s> = .7850E-08

<3p 2p> = .9907E-07

<3s 2s> = -.2500E-07

<3s 1s> = -.2787E-06

<2s 1s> = .1119E-06

RETURN