RETURN

(1s 2 3p 1 ) 2 P             Al 10+

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 5.180308 .79344586
2 3p 3.594372 -1.55082851
3 4p 5.774064 .22390492
4 5p 10.327997 .02010796
5 4p 22.912905 -.00306426
6 5p 29.740119 .00069925
7 5p 3.346847 .00786998
8 3p 39.639599 -.00009486
ORB.ENERGY,a.u. -6.809900
NORM 1.000000
< R > 1.121521
< R2 > 1.449927
< 1/R > 1.243930
< 1/R**2 > 3.146045


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 12.429244 .93897785
2 1s 20.073878 .05013949
3 2s 15.064575 .01651996
4 3s 13.939771 .00228145
5 4s 21.021503 -.00229844
6 5s 27.685975 .00046772
7 3s 32.153639 -.00083660
8 5s 5.094575 -.00007665
ORB.ENERGY,a.u. -75.350000
NORM 1.000000
< R > .118906
< R2 > .018927
< 1/R > 12.681101
< 1/R**2 > 323.796730


Total Energy= -167.78979543 a.u.

Kinetic Energy= 167.78980172 a.u.

Potential Energy= -335.57959715 a.u.

Virial Ratio = -1.99999996

***** TESTING *****

1.0 - <3p 3p> = -.9072E-07

1.0 - <1s 1s> = -.2147E-07

RETURN