RETURN

(1s 2 2s 2 2p 5 5s 1 ) 1 P             Ar 8+

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

Table 1150.

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 5s- electron
1 1s 14.593996 .06606899
2 2s 5.038206 -.38268677
3 3s 2.486123 2.75060114
4 4s 2.295225 -4.94552602
5 5s 1.962838 3.05526256
6 5s 17.554917 -.00614367
7 4s 22.200209 -.00263153
8 5s 64.337246 -.00006526
9 4s 96.131222 -.00001457
ORB.ENERGY,a.u. -1.940500
NORM .999999
< R > 3.494066
< R2 > 13.662838
< 1/R > .409054
< 1/R**2 > 1.639404


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.387224 1.17342061
2 3p 7.522783 -.23526288
3 2p 13.941205 .06192411
4 4p 17.114770 .00807349
5 5p 41.061211 -.00015081
6 5p 4.568877 .00026652
ORB.ENERGY,a.u. -17.197000
NORM 1.000000
< R > .358919
< R2 > .157993
< 1/R > 3.575838
< 1/R**2 > 17.598796


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 15.669712 .35060500
2 2s 6.588372 -.78684505
3 3s 10.301397 -.22154217
4 4s 8.183892 -.07517053
5 5s 21.533362 -.00660439
6 5s 1.651641 .02701627
7 4s 1.404538 -.02898007
8 3s 55.025588 -.00007085
9 2s .786160 .00320111
ORB.ENERGY,a.u. -18.309000
NORM 1.000000
< R > .400493
< R2 > .188956
< 1/R > 3.659594
< 1/R**2 > 54.804710


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.190024 .93060589
2 1s 25.288035 .06436909
3 2s 11.967905 .02087868
4 3s 14.956028 -.01907533
5 4s 17.825596 .00926365
6 5s 43.377008 .00066634
7 3s 67.419099 -.00007095
8 5s 1.278489 -.00180518
9 4s 1.046130 .00166040
ORB.ENERGY,a.u. -124.690000
NORM 1.000000
< R > .085958
< R2 > .009919
< 1/R > 17.572231
< 1/R**2 > 622.172799


Total Energy= -492.42259652 a.u.

Kinetic Energy= 492.41595592 a.u.

Potential Energy= -984.83855245 a.u.

Virial Ratio = -2.00001349

***** TESTING *****

1.0 - <5s 5s> = .1401E-05

1.0 - <2p 2p> = .6831E-08

1.0 - <2s 2s> = -.1511E-07

1.0 - <1s 1s> = -.6152E-08

<5s 2s> = -.8105E-06

<5s 1s> = .1516E-04

<2s 1s> = -.1627E-05

RETURN