RETURN

(1s 1 5s 1 ) 3 S             F 7+

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

Table 3050.

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 5s- electron
1 1s 6.610531 .12469949
2 2s 2.341743 -2.05717303
3 3s 1.970260 5.71760160
4 4s 1.475121 -15.72792610
5 5s 1.568129 12.76306204
6 2s 4.310442 .21893786
7 5s 8.143086 -.00609603
8 3s 51.342174 .00000755
9 4s .568436 .00085258
ORB.ENERGY,a.u. -1.352300
NORM 1.000014
< R > 4.589304
< R2 > 23.586432
< 1/R > .323411
< 1/R**2 > 1.024141


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 8.855893 .75723983
2 1s 9.102258 .25652684
3 2s 8.903371 -.01575766
4 3s 11.996829 -.00013503
ORB.ENERGY,a.u. -40.232000
NORM 1.000000
< R > .166665
< R2 > .037037
< 1/R > 9.000237
< 1/R**2 > 162.009042


Total Energy= -41.80345476 a.u.

Kinetic Energy= 41.80774651 a.u.

Potential Energy= -83.61120127 a.u.

Virial Ratio = -1.99989735

***** TESTING *****

1.0 - <5s 5s> = -.1354E-04

1.0 - <1s 1s> = .9945E-08

<5s 1s> = .4587E-06

RETURN