RETURN

(1s 2 2s 2 2p 2 4s 1 ) 4 P             Ar 11+

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

Table 4140.

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 4s- electron
1 1s 13.819398 .13375963
2 2s 4.037843 -1.51998340
3 3s 3.606916 3.90578167
4 4s 3.227383 -2.88926849
5 5s 4.826005 -.22054694
6 4s 13.828135 -.01559461
7 5s 41.329563 .00026808
8 5s 1.631126 -.00019854
ORB.ENERGY,a.u. -5.148600
NORM 1.000001
< R > 1.759425
< R2 > 3.477746
< 1/R > .826358
< 1/R**2 > 5.518692


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 7.213900 1.14421439
2 3p 8.266274 -.16740892
3 2p 17.271161 .01971118
4 4p 19.962744 .00534571
5 5p 30.888979 -.00064587
6 5p 7.260161 -.00236778
7 4p 81.153524 .00002056
8 3p 2.507083 -.00017350
ORB.ENERGY,a.u. -24.503000
NORM 1.000000
< R > .328494
< R2 > .130765
< 1/R > 3.852506
< 1/R**2 > 20.106243


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 13.854894 .44724769
2 2s 8.076895 -.89328385
3 3s 7.833979 -.29503101
4 4s 30.549125 .00186312
5 3s 16.219376 .02010177
6 5s 6.151175 -.00581086
7 4s 3.006900 .00449181
ORB.ENERGY,a.u. -23.662000
NORM 1.000000
< R > .378760
< R2 > .168012
< 1/R > 3.881792
< 1/R**2 > 61.085971


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.065152 .92635926
2 1s 25.599744 .07257961
3 2s 15.265011 .01937526
4 3s 19.285554 -.01588142
5 5s 42.289577 .00071670
6 4s 95.799655 -.00003963
7 5s 7.186478 .00030639
8 3s 2.155536 -.00030200
ORB.ENERGY,a.u. -133.590000
NORM 1.000000
< R > .085563
< R2 > .009808
< 1/R > 17.624000
< 1/R**2 > 625.017426


Total Energy= -435.51838155 a.u.

Kinetic Energy= 435.53221955 a.u.

Potential Energy= -871.05060110 a.u.

Virial Ratio = -1.99996823

***** TESTING *****

1.0 - <4s 4s> = -.5834E-06

1.0 - <2p 2p> = -.7225E-08

1.0 - <2s 2s> = .8237E-08

1.0 - <1s 1s> = -.1151E-07

<4s 2s> = -.1738E-06

<4s 1s> = -.2021E-05

<2s 1s> = .5613E-07

RETURN