RETURN

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

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

Table 1151.

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 3.763860 .13844175
2 3p 1.494845 -1.69163538
3 4p 1.324445 3.30395092
4 5p 1.062725 -2.35071720
5 2p 7.974023 .04195868
6 5p 11.921871 .00277249
7 5p .727343 .06187451
8 4p 29.284709 -.00015074
9 4p .566821 -.02846640
ORB.ENERGY,a.u. -.593770
NORM 1.000000
< R > 6.140347
< R2 > 42.394954
< 1/R > .232323
< 1/R**2 > .204272


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 4.367807 1.25277154
2 3p 5.184893 -.33541414
3 2p 10.442491 .07947194
4 3p 40.969564 .00003123
5 4p 12.408654 .01540382
6 5p 3.040568 .00063918
ORB.ENERGY,a.u. -7.242300
NORM 1.000000
< R > .506655
< R2 > .318149
< 1/R > 2.564314
< 1/R**2 > 9.176731


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 11.399991 .36105632
2 2s 5.638346 -.83013591
3 3s 4.908127 -.30158671
4 4s 17.746204 .00463920
5 3s 16.433681 .00657101
6 5s 35.278472 .00034916
7 5s 4.731563 -.00300814
ORB.ENERGY,a.u. -8.011000
NORM 1.000000
< R > .547129
< R2 > .354505
< 1/R > 2.663823
< 1/R**2 > 29.159015


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 13.199466 .91834285
2 1s 19.515982 .07854962
3 2s 7.789698 .02030391
4 3s 9.780328 -.02092754
5 4s 12.337606 .01065418
6 5s 33.329219 .00087979
7 4s 77.781829 -.00004037
ORB.ENERGY,a.u. -70.186000
NORM 1.000000
< R > .111310
< R2 > .016655
< 1/R > 13.590229
< 1/R**2 > 372.765120


Total Energy= -279.69761202 a.u.

Kinetic Energy= 279.69562523 a.u.

Potential Energy= -559.39323726 a.u.

Virial Ratio = -2.00000710

***** TESTING *****

1.0 - <5p 5p> = .4677E-06

1.0 - <2p 2p> = -.1426E-07

1.0 - <2s 2s> = -.3671E-07

1.0 - <1s 1s> = .1267E-08

<5p 2p> = -.1377E-03

<2s 1s> = -.2214E-05

RETURN