RETURN

(1s 2 2s 2 2p 3 3p 1 ) 3 P             Ar 10+

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

Table 3131.

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 3p- electron
1 2p 3.738135 1.39506005
2 3p 4.005488 -2.11161396
3 2p 11.719809 .07942190
4 4p 6.712963 -.08389449
5 5p 3.245931 -.00977720
6 4p 16.684395 .00495894
7 5p 44.936724 -.00005368
8 4p 2.619222 .00477418
ORB.ENERGY,a.u. -7.664900
NORM 1.000000
< R > 1.009393
< R2 > 1.155393
< 1/R > 1.304780
< 1/R**2 > 3.428887


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 7.278725 1.25315259
2 3p 9.346340 -.30756666
3 4p 11.469115 .05706689
4 5p 5.176099 -.00880325
5 4p 30.181163 -.00156768
6 3p 39.762248 -.00022275
7 4p 3.891235 -.00600146
ORB.ENERGY,a.u. -21.335000
NORM 1.000000
< R > .334001
< R2 > .134861
< 1/R > 3.787459
< 1/R**2 > 19.461489


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.090543 .42641500
2 2s 7.896341 -.87175493
3 3s 7.655802 -.29217563
4 4s 31.032209 .00171297
5 3s 16.198640 .01681844
6 5s 7.315284 -.01170028
ORB.ENERGY,a.u. -21.808000
NORM 1.000000
< R > .386901
< R2 > .175698
< 1/R > 3.795431
< 1/R**2 > 58.614547


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.181875 .94542861
2 1s 26.956538 .05204496
3 2s 15.425480 .01873761
4 3s 21.681786 -.01473436
5 4s 32.487973 .00255400
6 5s 62.054225 .00010552
7 5s 13.682665 .00043591
ORB.ENERGY,a.u. -130.480000
NORM 1.000000
< R > .085737
< R2 > .009856
< 1/R > 17.600827
< 1/R**2 > 623.739357


Total Energy= -460.94723521 a.u.

Kinetic Energy= 460.83960413 a.u.

Potential Energy= -921.78683934 a.u.

Virial Ratio = -2.00023355

***** TESTING *****

1.0 - <3p 3p> = -.1268E-06

1.0 - <2p 2p> = -.1323E-06

1.0 - <2s 2s> = .6005E-09

1.0 - <1s 1s> = .5773E-08

<3p 2p> = .4284E-07

<2s 1s> = -.1231E-05

RETURN