RETURN

(1s 2 2s 2 2p 5 4p 1 ) 1 S             Ar 8+

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

Table 1041.

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 4p- electron
1 2p 8.546633 .16127979
2 3p 1.963976 2.47806601
3 4p 3.442935 -1.93673468
4 5p 6.073209 -.19568705
5 3p 13.071042 -.00880637
6 5p 1.852209 -.14899764
7 4p 1.170218 .04813937
8 5p 25.637038 .00036791
9 3p .954484 -.03545159
ORB.ENERGY,a.u. -2.834000
NORM 1.000000
< R > 2.287541
< R2 > 5.907373
< 1/R > .591591
< 1/R**2 > .889281


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.593747 1.17270734
2 3p 8.385505 -.23659452
3 2p 13.731593 .05034777
4 4p 12.116285 .02107667
5 5p 2.685048 .03543199
6 4p 2.638045 -.02481807
7 5p 23.160942 .00272004
8 3p 1.039170 .00020107
9 3p 26.998961 -.00010316
ORB.ENERGY,a.u. -16.831000
NORM 1.000000
< R > .358225
< R2 > .158053
< 1/R > 3.581615
< 1/R**2 > 17.640777


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.313845 .40107363
2 2s 7.683854 -.84713117
3 3s 7.003522 -.30667711
4 4s 17.996190 .00323696
5 3s 19.544035 .00826694
6 5s 37.974472 .00063245
7 5s 5.828600 -.00302993
8 4s 3.900422 .00090616
9 3s 63.419971 -.00003813
ORB.ENERGY,a.u. -18.309000
NORM 1.000000
< R > .400961
< R2 > .189367
< 1/R > 3.654978
< 1/R**2 > 54.675665


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.189635 .93092546
2 1s 25.217449 .06446430
3 2s 10.909059 .02178882
4 3s 13.407935 -.02193225
5 4s 16.558967 .01073082
6 5s 42.912041 .00062887
7 4s 94.730055 -.00003738
ORB.ENERGY,a.u. -124.690000
NORM 1.000000
< R > .085962
< R2 > .009920
< 1/R > 17.571664
< 1/R**2 > 622.142013


Total Energy= -493.40363470 a.u.

Kinetic Energy= 493.31152150 a.u.

Potential Energy= -986.71515620 a.u.

Virial Ratio = -2.00018672

***** TESTING *****

1.0 - <4p 4p> = .1015E-07

1.0 - <2p 2p> = -.9695E-08

1.0 - <2s 2s> = .5704E-08

1.0 - <1s 1s> = .8315E-08

<4p 2p> = .3625E-06

<2s 1s> = .5775E-06

RETURN