(1s 2 2s 2 2p 1 4p 1 ) 1 P Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
1 | 2p | 7.989993 | .35427409 |
2 | 3p | 3.650387 | -.92612843 |
3 | 5p | 3.725713 | 1.38595619 |
4 | 4p | 5.329272 | -.36825918 |
5 | 5p | 10.286259 | .03518263 |
6 | 4p | 24.728124 | -.00270144 |
7 | 5p | 3.260102 | .25800881 |
8 | 5p | 54.824991 | -.00028196 |
9 | 4p | 83.209469 | -.00005797 |
ORB.ENERGY,a.u. | -5.668900 |
NORM | 1.000000 | < R > | 1.652657 | < R2 > | 3.091651 | < 1/R > | .861571 | < 1/R**2 > | 2.046592 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.623048 | 1.08098494 |
2 | 3p | 9.086657 | -.09353159 |
3 | 2p | 18.516229 | .01189820 |
4 | 5p | 23.222446 | .00230116 |
5 | 5p | 6.141462 | .00060232 |
ORB.ENERGY,a.u. | -26.985000 |
NORM | 1.000000 | < R > | .320044 | < R2 > | .123795 | < 1/R > | 3.941552 | < 1/R**2 > | 20.966456 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.376724 | .39005380 |
2 | 2s | 7.022845 | -.81705194 |
3 | 3s | 10.054756 | -.28713104 |
4 | 4s | 33.132058 | .00131652 |
5 | 5s | 19.294169 | -.00769330 |
6 | 5s | 7.724334 | .01650954 |
7 | 4s | 3.389860 | .00020409 |
ORB.ENERGY,a.u. | -26.841000 |
NORM | 1.000000 | < R > | .371839 | < R2 > | .161672 | < 1/R > | 3.958896 | < 1/R**2 > | 63.321486 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.200426 | .93947408 |
2 | 1s | 26.441309 | .05710036 |
3 | 2s | 15.888114 | .02009512 |
4 | 3s | 19.446537 | -.01421455 |
5 | 4s | 87.020805 | -.00006272 |
6 | 5s | 40.953605 | .00061892 |
7 | 4s | 4.802523 | .00001177 |
ORB.ENERGY,a.u. | -137.760000 |
NORM | 1.000000 | < R > | .085412 | < R2 > | .009766 | < 1/R > | 17.644067 | < 1/R**2 > | 626.129438 |
Total Energy= -410.82690626 a.u.
Kinetic Energy= 410.87343438 a.u.
Potential Energy= -821.70034064 a.u.
Virial Ratio = -1.99988676