RETURN

(1s 2 2s 2 2p 1 3p 1 ) 3 P             Ar 12+

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

Table 3131.

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 4.006867 1.06471966
2 3p 4.518588 -1.98804524
3 2p 14.979159 .00568867
4 4p 8.001955 .03014799
5 5p 21.571864 .00128889
6 5p 4.256471 -.01098392
7 4p 22.444705 .00026347
ORB.ENERGY,a.u. -10.337000
NORM 1.000000
< R > .898853
< R2 > .891668
< 1/R > 1.259835
< 1/R**2 > 2.058040


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 7.362110 1.06617932
2 3p 4.318965 -.35869251
3 2p 12.468041 .09580243
4 5p 16.274523 .00607772
5 4p 30.323146 -.00305816
6 5p 4.218279 .01913743
7 5p 36.241822 .00050500
8 3p 3.153067 -.01111529
9 3p 43.042589 -.00027424
ORB.ENERGY,a.u. -26.473000
NORM 1.000000
< R > .305915
< R2 > .127812
< 1/R > 4.219915
< 1/R**2 > 23.724105


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 15.389685 .38860671
2 2s 7.006853 -.81593836
3 3s 10.037869 -.28649786
4 4s 33.396069 .00118518
5 5s 19.315872 -.00796859
6 5s 7.983226 .01495198
ORB.ENERGY,a.u. -26.841000
NORM 1.000000
< R > .372814
< R2 > .162614
< 1/R > 3.948850
< 1/R**2 > 63.034255


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.198993 .93999723
2 1s 26.565434 .05639767
3 2s 16.193102 .02003592
4 3s 19.911277 -.01400664
5 4s 93.189671 -.00004799
6 5s 41.059351 .00076757
7 4s 4.129494 -.00002021
ORB.ENERGY,a.u. -137.760000
NORM 1.000000
< R > .085434
< R2 > .009771
< 1/R > 17.640940
< 1/R**2 > 625.950931


Total Energy= -415.53326002 a.u.

Kinetic Energy= 415.11374702 a.u.

Potential Energy= -830.64700704 a.u.

Virial Ratio = -2.00101060

***** TESTING *****

1.0 - <3p 3p> = -.3910E-07

1.0 - <2p 2p> = .6119E-07

1.0 - <2s 2s> = .1946E-07

1.0 - <1s 1s> = -.1012E-07

<3p 2p> = .6492E-09

<2s 1s> = .5803E-06

RETURN