(1s 2 2s 2 2p 3 5p 1 ) 3 P Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
j | S nl j (α j ,r) | C j | |
nl j | α j | 5p- electron | |
1 | 2p | 4.716058 | .38008144 |
2 | 3p | 2.762487 | -2.97587391 |
3 | 4p | 2.427262 | 6.51483651 |
4 | 5p | 2.277977 | -4.52103790 |
5 | 2p | 10.919726 | .04450715 |
6 | 5p | 31.531969 | -.00020016 |
7 | 4p | 41.875863 | -.00014117 |
ORB.ENERGY,a.u. | -2.604400 |
NORM | 1.000004 | < R > | 3.085827 | < R2 > | 10.709855 | < 1/R > | .463773 | < 1/R**2 > | .734505 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 3p | 31.683633 | -.00064558 |
2 | 3p | 1.668148 | -.01582992 |
3 | 2p | 7.178349 | 1.29321600 |
4 | 3p | 8.904264 | -.37229761 |
5 | 4p | 10.729294 | .07767221 |
6 | 5p | 3.100718 | .02863037 |
7 | 4p | 2.563212 | -.01316772 |
8 | 4p | 27.270886 | -.00219254 |
ORB.ENERGY,a.u. | -22.322000 |
NORM | 1.000000 | < R > | .336646 | < R2 > | .137941 | < 1/R > | 3.771981 | < 1/R**2 > | 19.346956 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.083879 | .42794168 |
2 | 2s | 7.910102 | -.87182817 |
3 | 3s | 7.696066 | -.29201446 |
4 | 4s | 30.807168 | .00179657 |
5 | 3s | 16.308480 | .01624806 |
6 | 5s | 7.805666 | -.01117108 |
ORB.ENERGY,a.u. | -21.808000 |
NORM | 1.000000 | < R > | .385750 | < R2 > | .174546 | < 1/R > | 3.806551 | < 1/R**2 > | 58.926173 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.184390 | .94511172 |
2 | 1s | 26.903334 | .05233602 |
3 | 2s | 15.392864 | .01876060 |
4 | 3s | 21.570941 | -.01475464 |
5 | 4s | 32.444780 | .00255792 |
6 | 5s | 61.046866 | .00010873 |
7 | 5s | 12.744115 | .00039478 |
ORB.ENERGY,a.u. | -130.480000 |
NORM | 1.000000 | < R > | .085716 | < R2 > | .009850 | < 1/R > | 17.603768 | < 1/R**2 > | 623.903574 |
Total Energy= -455.80477824 a.u.
Kinetic Energy= 455.78609813 a.u.
Potential Energy= -911.59087637 a.u.
Virial Ratio = -2.00004098