RETURN

(1s 2 2s 2 2p 6 3p 1 ) 2 P             Ar 7+

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

Table 2131.

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 2.965377 -.05115576
2 3p 3.105510 -1.13248989
3 2p 5.003159 .40277592
4 2p 9.577772 .15128380
5 3p 12.867699 -.01045430
6 4p 36.385077 -.00060159
7 5p 50.787194 .00017740
8 4p .362587 -.00181439
9 5p .479914 .00164591
ORB.ENERGY,a.u. -4.606400
NORM 1.000000
< R > 1.204301
< R2 > 1.660483
< 1/R > 1.124688
< 1/R**2 > 2.756020


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 10.195589 .45441116
2 3p 8.317442 .46822083
3 5p 6.298615 .01536797
4 4p 7.110524 .16192311
5 2p 21.755689 .00400480
6 5p 15.595251 -.00346504
7 4p 65.546350 .00003070
8 3p 101.719309 .00000323
9 5p 3.989335 .00060932
ORB.ENERGY,a.u. -14.546000
NORM 1.000000
< R > .371438
< R2 > .170194
< 1/R > 3.477141
< 1/R**2 > 16.751413


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.415096 .38827501
2 2s 7.555764 -.84311749
3 3s 6.708492 -.30703549
4 4s 30.420983 .00171574
5 3s 17.201218 .00879242
6 2s 6.737370 .00302831
7 5s 5.739288 -.00354099
8 5s 77.168578 .00000705
ORB.ENERGY,a.u. -17.326000
NORM 1.000000
< R > .409638
< R2 > .198234
< 1/R > 3.575664
< 1/R**2 > 52.508968


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.577618 1.01032648
2 2s 22.826282 -.01903357
3 3s 15.398000 .01733894
4 4s 61.635651 -.00062210
5 5s 12.511330 .00127119
6 5s 75.959309 .00019046
7 4s 13.556191 -.00210923
8 2s 35.654294 -.00093399
9 3s 103.968128 -.00002919
ORB.ENERGY,a.u. -123.610000
NORM 1.000000
< R > .086073
< R2 > .009951
< 1/R > 17.557524
< 1/R**2 > 621.368779


Total Energy= -510.57010156 a.u.

Kinetic Energy= 510.57011335 a.u.

Potential Energy= -1021.14021491 a.u.

Virial Ratio = -1.99999998

***** TESTING *****

1.0 - <3p 3p> = -.7148E-07

1.0 - <2p 2p> = .1270E-07

1.0 - <2s 2s> = .1709E-07

1.0 - <1s 1s> = -.2203E-07

<3p 2p> = -.7364E-08

<2s 1s> = .5783E-07

RETURN