RETURN

(1s 2 2s 2 2p 4 5p 1 ) 2 S             Si 5+

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

Table 2051.

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 5p- electron
1 2p 3.641106 .18812143
2 3p 1.643859 -2.05896360
3 4p 1.473976 4.37034527
4 5p 1.276039 -2.97836518
5 2p 7.735018 .05270229
6 5p 22.293662 -.00071861
7 4p 32.501724 -.00023747
8 2p 1.017392 -.08769991
ORB.ENERGY,a.u. -.824220
NORM .999998
< R > 5.310936
< R2 > 31.713626
< 1/R > .269150
< 1/R**2 > .266154


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 4.646773 1.20338191
2 3p 5.419034 -.27459566
3 2p 10.885190 .06619830
4 4p 12.917011 .01514548
5 5p 1.813660 .00693227
6 5p 18.802396 -.00056076
7 4p 56.122998 .00002736
8 4p 1.440215 -.00695661
ORB.ENERGY,a.u. -8.710000
NORM 1.000000
< R > .484177
< R2 > .288371
< 1/R > 2.660497
< 1/R**2 > 9.787849


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 11.310890 .37514405
2 2s 5.729522 -.84739631
3 3s 5.080836 -.30051430
4 4s 16.652199 .00778562
5 3s 17.760221 .00588551
6 5s 33.173580 .00053807
7 5s 6.107355 .00939519
8 4s 2.216239 .00007028
ORB.ENERGY,a.u. -9.180700
NORM 1.000000
< R > .533166
< R2 > .335440
< 1/R > 2.734993
< 1/R**2 > 30.623980


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 13.204509 .91772305
2 1s 19.462681 .07932105
3 2s 8.033059 .01970779
4 3s 9.919065 -.01994557
5 4s 12.301668 .00938379
6 5s 33.551197 .00092617
7 4s 80.713296 -.00003729
ORB.ENERGY,a.u. -72.079000
NORM 1.000000
< R > .111170
< R2 > .016603
< 1/R > 13.600744
< 1/R**2 > 373.206950


Total Energy= -272.44530409 a.u.

Kinetic Energy= 272.44013287 a.u.

Potential Energy= -544.88543695 a.u.

Virial Ratio = -2.00001898

***** TESTING *****

1.0 - <5p 5p> = .1789E-05

1.0 - <2p 2p> = .2477E-08

1.0 - <2s 2s> = -.2811E-07

1.0 - <1s 1s> = .3421E-08

<5p 2p> = -.2450E-04

<2s 1s> = -.5773E-05

RETURN