RETURN

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

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

Table 1131.

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 6.109345 .75026492
2 3p 4.501417 -1.39816085
3 2p 12.509425 .05327845
4 4p 15.456957 .01065950
5 5p 4.090665 .01831149
6 4p 3.494533 -.01134730
7 5p 46.390332 -.00008729
ORB.ENERGY,a.u. -10.390000
NORM 1.000000
< R > .873978
< R2 > .875906
< 1/R > 1.568836
< 1/R**2 > 5.050553


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 7.632432 1.08055335
2 3p 9.056173 -.09354480
3 2p 18.646464 .01155055
4 5p 23.253055 .00219700
5 5p 8.089949 .00158777
ORB.ENERGY,a.u. -26.526000
NORM 1.000000
< R > .319789
< R2 > .123596
< 1/R > 3.944545
< 1/R**2 > 20.996759


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 15.392114 .38842737
2 2s 7.004283 -.81579942
3 3s 10.039658 -.28639507
4 4s 33.481029 .00117314
5 5s 19.294497 -.00802424
6 5s 7.971548 .01486810
ORB.ENERGY,a.u. -26.841000
NORM 1.000000
< R > .372883
< R2 > .162677
< 1/R > 3.948016
< 1/R**2 > 63.008265


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.199385 .93997445
2 1s 26.578005 .05635630
3 2s 16.238461 .02007791
4 3s 19.955576 -.01395404
5 4s 92.165178 -.00004831
6 5s 41.231817 .00075142
7 4s 3.784852 -.00001978
ORB.ENERGY,a.u. -137.760000
NORM 1.000000
< R > .085434
< R2 > .009771
< 1/R > 17.640979
< 1/R**2 > 625.955546


Total Energy= -415.44734221 a.u.

Kinetic Energy= 415.58591414 a.u.

Potential Energy= -831.03325635 a.u.

Virial Ratio = -1.99966656

***** TESTING *****

1.0 - <3p 3p> = .6077E-07

1.0 - <2p 2p> = .1875E-08

1.0 - <2s 2s> = -.5796E-09

1.0 - <1s 1s> = -.2976E-07

<3p 2p> = -.1336E-05

<2s 1s> = .1476E-05

RETURN