RETURN

(1s 2 2s 2 2p 1 5d 1 ) 1 F             P 9+

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

Table 1352.

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 5d- electron
1 3d 1.987450 3.57443263
2 4d 2.002681 -8.99678763
3 5d 2.013165 6.08097675
4 3d 5.745233 .02931906
5 5d 8.624803 -.00968245
6 5d 1.682070 .02266982
7 4d 19.325841 .00024685
8 5d 42.598671 .00002142
9 3d 33.922286 .00002462
ORB.ENERGY,a.u. -2.013600
NORM 1.000000
< R > 3.419778
< R2 > 13.284508
< 1/R > .407359
< 1/R**2 > .340606


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 6.162538 1.08467261
2 3p 7.593922 -.10033763
3 2p 14.514480 .01545391
4 5p 16.810156 .00301881
5 4p 31.294131 -.00042499
6 5p 4.893203 .00215102
7 5p 101.016889 -.00000645
8 4p 1.510070 -.00023374
ORB.ENERGY,a.u. -17.167000
NORM 1.000000
< R > .396582
< R2 > .190418
< 1/R > 3.187727
< 1/R**2 > 13.752474


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 12.936807 .37340461
2 2s 5.674874 -.80873341
3 3s 8.188765 -.28227071
4 4s 28.126008 .00135938
5 5s 15.954217 -.01071337
6 5s 6.259333 .01641695
ORB.ENERGY,a.u. -16.877000
NORM 1.000000
< R > .456524
< R2 > .243867
< 1/R > 3.212086
< 1/R**2 > 41.730694


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 14.165597 .93103448
2 1s 21.897761 .06856656
3 2s 13.074766 .01918968
4 3s 16.079543 -.01652887
5 4s 73.807768 -.00006481
6 5s 34.547404 .00078559
7 4s 7.957443 .00008223
ORB.ENERGY,a.u. -92.406000
NORM 1.000000
< R > .102968
< R2 > .014203
< 1/R > 14.648340
< 1/R**2 > 432.014022


Total Energy= -278.13977043 a.u.

Kinetic Energy= 278.10897734 a.u.

Potential Energy= -556.24874778 a.u.

Virial Ratio = -2.00011072

***** TESTING *****

1.0 - <5d 5d> = -.2514E-06

1.0 - <2p 2p> = -.5136E-08

1.0 - <2s 2s> = .8863E-08

1.0 - <1s 1s> = -.2039E-07

<2s 1s> = -.2394E-07

RETURN