RETURN

(1s 2 2s 2 ) 3 S             Si 10+

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

Table 3020.

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 2s- electron
1 1s 11.738014 .39495246
2 2s 5.723826 -.78945235
3 3s 7.091131 -.29305931
4 5s 12.827447 -.02240727
5 4s 24.967907 .00152451
6 5s 17.516039 -.00555344
7 2s 34.672683 -.00005211
ORB.ENERGY,a.u. -17.331000
NORM 1.000000
< R > .481976
< R2 > .271347
< 1/R > 3.042885
< 1/R**2 > 37.307938


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 13.435763 .94277615
2 1s 22.832429 .04260287
3 2s 18.529758 .01714691
4 3s 13.180641 .00414517
5 4s 53.811596 -.00063740
6 5s 71.346688 .00023631
ORB.ENERGY,a.u. -84.439000
NORM 1.000000
< R > .110274
< R2 > .016279
< 1/R > 13.671194
< 1/R**2 > 376.208136


Total Energy= -223.82207685 a.u.

Kinetic Energy= 223.82208128 a.u.

Potential Energy= -447.64415813 a.u.

Virial Ratio = -1.99999998

***** TESTING *****

1.0 - <2s 2s> = .2184E-07

1.0 - <1s 1s> = .3741E-07

<2s 1s> = -.1678E-05

RETURN