RETURN

(1s 2 2s 2 2p 1 5p 1 ) 1 P             Cl 11+

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 5.325429 .40378907
2 3p 2.789958 -3.60255963
3 4p 2.457261 9.94646597
4 5p 2.482751 -7.34072531
5 2p 10.651918 .03247872
6 5p 4.741586 -.08231812
7 5p 33.942469 -.00055644
8 4p 50.047359 -.00012405
ORB.ENERGY,a.u. -3.054400
NORM 1.000005
< R > 2.872668
< R2 > 9.280812
< 1/R > .504088
< 1/R**2 > .881484


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 7.142528 1.07939457
2 3p 8.602875 -.09232339
3 2p 17.453164 .01241078
4 5p 21.891546 .00242581
5 5p 6.628492 .00105647
ORB.ENERGY,a.u. -23.644000
NORM 1.000000
< R > .342021
< R2 > .141431
< 1/R > 3.690220
< 1/R**2 > 18.391960


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.563531 .38532541
2 2s 6.573640 -.81536726
3 3s 9.423030 -.28526648
4 4s 31.705512 .00122716
5 5s 18.228209 -.00905774
6 5s 7.277120 .01775194
ORB.ENERGY,a.u. -23.265000
NORM 1.000000
< R > .396128
< R2 > .183505
< 1/R > 3.712032
< 1/R**2 > 55.685574


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 16.194974 .93668261
2 1s 24.909639 .06042501
3 2s 14.957629 .02009421
4 3s 18.330493 -.01477552
5 4s 84.190774 -.00005911
6 5s 38.840619 .00070673
7 4s 6.742447 .00002841
ORB.ENERGY,a.u. -121.620000
NORM 1.000000
< R > .090557
< R2 > .010980
< 1/R > 16.645793
< 1/R**2 > 557.449448


Total Energy= -362.45454288 a.u.

Kinetic Energy= 362.47435400 a.u.

Potential Energy= -724.92889689 a.u.

Virial Ratio = -1.99994534

***** TESTING *****

1.0 - <5p 5p> = -.4744E-05

1.0 - <2p 2p> = -.3654E-08

1.0 - <2s 2s> = -.3619E-08

1.0 - <1s 1s> = .1002E-07

<5p 2p> = -.6469E-05

<2s 1s> = .2039E-07

RETURN