RETURN

(1s 2 2s 2 2p 5 5p 1 ) 3 P             Ar 8+

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 5.006788 .22967612
2 3p 2.467607 -2.10617171
3 4p 2.070788 5.17148372
4 5p 1.930358 -3.76555981
5 5p 17.439274 .00155089
6 2p 10.572077 .04997318
7 5p 1.714759 -.14746312
8 4p 39.818008 -.00010454
ORB.ENERGY,a.u. -1.820900
NORM 1.000002
< R > 3.609138
< R2 > 14.647358
< 1/R > .399130
< 1/R**2 > .585548


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.398363 1.16978678
2 3p 7.555470 -.23151422
3 2p 13.927608 .06188810
4 4p 16.962286 .00820352
5 5p 41.994997 -.00014012
6 5p 4.725258 .00045227
ORB.ENERGY,a.u. -17.177000
NORM 1.000000
< R > .358895
< R2 > .157974
< 1/R > 3.576077
< 1/R**2 > 17.601053


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.335814 .40035079
2 2s 7.681793 -.84669149
3 3s 7.016388 -.30618347
4 4s 18.779845 .00509959
5 3s 21.319532 .00698003
6 5s 37.842725 .00057173
7 5s 5.995257 -.00348248
8 4s 4.006092 .00177555
9 3s 2.799161 -.00065876
10 2s 93.368591 .00000753
ORB.ENERGY,a.u. -18.309000
NORM 1.000000
< R > .400759
< R2 > .189159
< 1/R > 3.656817
< 1/R**2 > 54.726071


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.190273 .93053555
2 1s 25.176358 .06482478
3 2s 10.844019 .02187881
4 3s 13.382407 -.02198526
5 4s 16.613033 .01066382
6 5s 42.652120 .00068228
7 4s 99.717951 -.00003414
ORB.ENERGY,a.u. -124.690000
NORM 1.000000
< R > .085959
< R2 > .009919
< 1/R > 17.572095
< 1/R**2 > 622.165514


Total Energy= -492.30317774 a.u.

Kinetic Energy= 492.29905553 a.u.

Potential Energy= -984.60223327 a.u.

Virial Ratio = -2.00000837

***** TESTING *****

1.0 - <5p 5p> = -.2111E-05

1.0 - <2p 2p> = -.1264E-08

1.0 - <2s 2s> = .1356E-07

1.0 - <1s 1s> = .4418E-08

<5p 2p> = -.8615E-04

<2s 1s> = -.5556E-05

RETURN