RETURN

(1s 2 2s 2 2p 6 5p 1 ) 2 P             Ar 7+

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

Table 2151.

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 10.479038 .04789341
2 2p 5.059407 .18694726
3 3p 2.240929 -2.01932314
4 4p 1.998143 4.05094662
5 5p 1.696150 -2.81601770
6 5p 16.446434 .00184179
7 4p 38.942590 -.00011346
8 3p 1.056663 .02901089
ORB.ENERGY,a.u. -1.474800
NORM 1.000000
< R > 3.960025
< R2 > 17.632815
< 1/R > .363234
< 1/R**2 > .495193


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 10.165259 .45877892
2 3p 8.308870 .46449856
3 5p 6.447459 .01516957
4 4p 7.145423 .16001758
5 2p 21.656182 .00410274
6 5p 15.456882 -.00341275
7 4p 67.269017 .00002912
8 3p 108.448397 .00000280
9 5p 1.187809 .00002500
ORB.ENERGY,a.u. -14.546000
NORM 1.000000
< R > .370362
< R2 > .169046
< 1/R > 3.484577
< 1/R**2 > 16.812739


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.416943 .38903820
2 2s 7.558192 -.84418945
3 3s 6.720190 -.30722936
4 4s 30.333278 .00161527
5 3s 17.612494 .00839384
6 2s 6.433432 .00354227
7 5s 5.712377 -.00146197
8 4s 3.596295 .00025248
ORB.ENERGY,a.u. -17.326000
NORM 1.000000
< R > .408665
< R2 > .197169
< 1/R > 3.583590
< 1/R**2 > 52.719214


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.576887 1.01047392
2 2s 23.153799 -.01898438
3 3s 15.574969 .01586054
4 4s 66.291282 -.00051955
5 5s 11.674968 .00099493
6 5s 83.197021 .00017690
7 4s 11.916961 -.00081371
8 2s 34.308293 -.00080802
9 3s 125.384780 -.00001433
10 2s 2.120231 .00000640
ORB.ENERGY,a.u. -123.610000
NORM 1.000000
< R > .086060
< R2 > .009948
< 1/R > 17.559159
< 1/R**2 > 621.459492


Total Energy= -507.44194839 a.u.

Kinetic Energy= 507.44196159 a.u.

Potential Energy= -1014.88390998 a.u.

Virial Ratio = -1.99999997

***** TESTING *****

1.0 - <5p 5p> = .4019E-06

1.0 - <2p 2p> = .9000E-08

1.0 - <2s 2s> = -.2309E-07

1.0 - <1s 1s> = .3849E-08

<5p 2p> = .1824E-05

<2s 1s> = -.2249E-07

RETURN