RETURN

(1s 2 2s 2 2p 3 4p 1 ) 3 P             Ar 10+

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

Table 3141.

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 4p- electron
1 2p 9.309033 .19759444
2 3p 2.326415 2.54185668
3 4p 4.125771 -1.97399293
4 5p 7.200232 -.17879342
5 3p 20.449183 -.00429353
6 5p 2.290073 -.25846724
7 4p 1.811418 .06055861
8 4p 24.637789 .00090074
9 2p 35.508702 -.00029201
ORB.ENERGY,a.u. -4.152300
NORM 1.000000
< R > 1.907308
< R2 > 4.112889
< 1/R > .731714
< 1/R**2 > 1.451747


j S nl j j ,r) C j
nl j α j 2p- electron
1 2p 7.283752 1.24728614
2 3p 9.399705 -.29920305
3 4p 11.673267 .05084135
4 5p 3.103139 .02310372
5 4p 29.039800 -.00147288
6 4p 2.844449 -.01580844
7 3p 33.409402 -.00037992
ORB.ENERGY,a.u. -22.026000
NORM 1.000000
< R > .336391
< R2 > .137680
< 1/R > 3.773882
< 1/R**2 > 19.361323


j S nl j j ,r) C j
nl j α j 2s- electron
1 1s 14.054394 .42899383
2 2s 7.926113 -.87322800
3 3s 7.688652 -.29256071
4 4s 30.983733 .00181236
5 3s 16.015673 .01783640
6 5s 7.835454 -.01263289
7 4s 2.562379 .00014880
ORB.ENERGY,a.u. -21.808000
NORM 1.000000
< R > .386011
< R2 > .174800
< 1/R > 3.803922
< 1/R**2 > 58.851616


j S nl j j ,r) C j
nl j α j 1s- electron
1 1s 17.183760 .94511964
2 1s 26.904930 .05233399
3 2s 15.373266 .01877174
4 3s 21.575368 -.01475381
5 4s 32.428982 .00255834
6 5s 61.133922 .00010859
7 5s 12.843784 .00038561
ORB.ENERGY,a.u. -130.480000
NORM 1.000000
< R > .085721
< R2 > .009851
< 1/R > 17.603049
< 1/R**2 > 623.863297


Total Energy= -457.37126324 a.u.

Kinetic Energy= 457.33207158 a.u.

Potential Energy= -914.70333482 a.u.

Virial Ratio = -2.00008570

***** TESTING *****

1.0 - <4p 4p> = -.2500E-06

1.0 - <2p 2p> = -.3656E-08

1.0 - <2s 2s> = .1675E-07

1.0 - <1s 1s> = .2044E-08

<4p 2p> = .2094E-06

<2s 1s> = -.1203E-07

RETURN