RETURN

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

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

Table 4132.

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 3d- electron
1 3d .888640 .99899386
2 4d .995574 -.35541774
3 3d 2.098365 1.14180737
4 4d 2.581612 -.93072609
5 5d 3.078797 .24176186
6 3d 8.020635 .01083554
ORB.ENERGY,a.u. -.504090
NORM 1.000000
< R > 2.701484
< R2 > 9.274181
< 1/R > .496667
< 1/R**2 > .351532


j S nl j j ,r) C j
nl j α j 3p- electron
1 2p 4.133950 .74517186
2 2p 1.817004 -1.03504069
3 3p 4.757900 -.38706652
4 2p 10.613272 .07513488
5 3p 19.295019 -.00161848
6 5p 1.867768 -.02973129
7 4p 3.790650 -.08201785
8 3p .964618 -.00242183
ORB.ENERGY,a.u. -1.155800
NORM 1.000000
< R > 1.513160
< R2 > 2.685502
< 1/R > .888035
< 1/R**2 > 1.742796


j S nl j j ,r) C j
nl j α j 3s- electron
1 1s 1.448130 .75575543
2 1s 10.104798 .17455337
3 2s 5.349468 -.70805244
4 3s 2.807556 .50517814
5 4s 5.627302 .06743001
6 2s 10.316742 -.16625885
7 2s 16.825278 -.00920987
8 5s 1.748000 -.03649184
9 4s 31.141184 .00061847
10 3s 1.340100 .03426737
ORB.ENERGY,a.u. -1.890200
NORM 1.000000
< R > 1.360525
< R2 > 2.131654
< 1/R > 1.004535
< 1/R**2 > 5.918766


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 9.895844 .47303435
2 3p 8.063581 .47396191
3 4p 6.704303 .14346767
4 5p 5.281107 .00966541
5 2p 20.020276 .00690682
6 5p 15.395576 -.00706242
7 3p 48.288502 .00003762
8 3p 2.142769 .00134821
ORB.ENERGY,a.u. -9.912200
NORM 1.000000
< R > .375233
< R2 > .174299
< 1/R > 3.451291
< 1/R**2 > 16.538245


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.489315 .38367000
2 2s 7.545680 -.80328804
3 3s 6.939431 -.26219448
4 4s 30.355040 .00158659
5 3s 18.022192 .00711096
6 2s 4.307248 -.08026739
7 5s 3.279807 -.01152324
8 4s 2.972800 .01404298
ORB.ENERGY,a.u. -12.611000
NORM 1.000000
< R > .411748
< R2 > .200639
< 1/R > 3.559710
< 1/R**2 > 52.096932


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.581062 1.00985611
2 2s 22.401375 -.01728334
3 3s 14.926474 .01753300
4 4s 51.198313 -.00050701
5 4s 12.542143 .00289130
6 5s 60.176455 .00012322
7 5s 16.006325 -.00409530
8 2s 34.447328 -.00228643
9 2s 85.527683 .00004364
10 5s 3.683986 -.00002538
ORB.ENERGY,a.u. -118.470000
NORM 1.000000
< R > .086095
< R2 > .009957
< 1/R > 17.554365
< 1/R**2 > 621.187862


Total Energy= -525.62253827 a.u.

Kinetic Energy= 525.62363500 a.u.

Potential Energy= -1051.24617327 a.u.

Virial Ratio = -1.99999791

***** TESTING *****

1.0 - <3d 3d> = .4512E-07

1.0 - <3p 3p> = -.1030E-06

1.0 - <3s 3s> = .1012E-06

1.0 - <2p 2p> = -.8679E-08

1.0 - <2s 2s> = .1948E-07

1.0 - <1s 1s> = -.1115E-07

<3p 2p> = .4282E-06

<3s 2s> = .1640E-06

<3s 1s> = -.2657E-06

<2s 1s> = .9175E-07

RETURN