RETURN

(1s 2 2s 2 2p 4 3s 1 ) 4 P             Ar 9+

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

Table 4130.

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 3s- electron
1 1s 14.284598 .18387849
2 2s 5.640431 -.85004096
3 3s 3.860560 1.38815984
4 4s 14.405591 -.01810474
5 5s 3.076148 -.00920486
6 5s 56.310457 -.00008963
7 4s 36.139127 .00046720
8 5s 2.452221 .00650747
9 4s 1.865564 -.00275515
10 2s 69.301893 .00000990
ORB.ENERGY,a.u. -7.350800
NORM 1.000000
< R > 1.035375
< R2 > 1.216230
< 1/R > 1.380850
< 1/R**2 > 11.636950


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.500080 1.13266230
2 3p 7.279991 -.20966784
3 2p 13.652852 .07161969
4 4p 16.058501 .01092358
5 5p 46.112825 -.00012067
6 5p 6.115847 .00147478
ORB.ENERGY,a.u. -18.610000
NORM 1.000000
< R > .348960
< R2 > .148807
< 1/R > 3.661115
< 1/R**2 > 18.350480


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 15.626174 .35762619
2 2s 6.498753 -.84358319
3 3s 9.907397 -.23512310
4 4s 4.062896 -.03732261
5 5s 21.283288 -.01008943
6 4s 28.764326 -.00111589
7 3s 3.495698 .03916842
8 4s 2.611376 -.00062722
9 5s 78.148469 -.00002976
10 3s 56.790909 -.00007685
ORB.ENERGY,a.u. -20.023000
NORM 1.000000
< R > .395180
< R2 > .183999
< 1/R > 3.716015
< 1/R**2 > 56.404560


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.132968 .91948929
2 1s 24.650533 .07648284
3 2s 12.089667 .01958676
4 3s 14.431887 -.01873454
5 4s 16.831764 .00829534
6 5s 44.060717 .00066980
7 4s 4.551324 .00042728
8 3s 68.649935 -.00006349
ORB.ENERGY,a.u. -127.520000
NORM 1.000000
< R > .085838
< R2 > .009885
< 1/R > 17.587626
< 1/R**2 > 623.009337


Total Energy= -480.20367131 a.u.

Kinetic Energy= 480.24092526 a.u.

Potential Energy= -960.44459657 a.u.

Virial Ratio = -1.99992243

***** TESTING *****

1.0 - <3s 3s> = -.1576E-06

1.0 - <2p 2p> = .1721E-07

1.0 - <2s 2s> = -.1346E-08

1.0 - <1s 1s> = .3072E-09

<3s 2s> = .4033E-07

<3s 1s> = -.3414E-06

<2s 1s> = .3011E-07

RETURN