(1s 2 2s 2 2p 3 5p 1 ) 5 P Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5151.
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 | 5.082394 | .32881228 |
2 | 3p | 2.808306 | -2.75060001 |
3 | 4p | 2.468285 | 6.04442941 |
4 | 5p | 2.292877 | -4.21706695 |
5 | 2p | 10.384901 | .05511501 |
6 | 5p | 34.048222 | -.00055091 |
7 | 4p | 50.078180 | -.00013314 |
ORB.ENERGY,a.u. | -2.635800 |
NORM | 1.000001 | < R > | 3.050158 | < R2 > | 10.461217 | < 1/R > | .473667 | < 1/R**2 > | .797940 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.273712 | 1.25034759 |
2 | 3p | 9.468103 | -.32489737 |
3 | 4p | 11.978906 | .06840064 |
4 | 5p | 23.336755 | .00364107 |
5 | 4p | 4.230609 | .00177975 |
6 | 5p | 23.405741 | -.00053102 |
7 | 5p | 3.789821 | -.00399646 |
8 | 3p | 2.735843 | .00413342 |
ORB.ENERGY,a.u. | -22.354000 |
NORM | 1.000000 | < R > | .336851 | < R2 > | .137896 | < 1/R > | 3.769732 | < 1/R**2 > | 19.328186 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.087562 | .42777024 |
2 | 2s | 7.910850 | -.87071759 |
3 | 3s | 7.729301 | -.29128393 |
4 | 4s | 30.933602 | .00181658 |
5 | 3s | 16.199341 | .01655143 |
6 | 5s | 7.884057 | -.01347997 |
ORB.ENERGY,a.u. | -21.808000 |
NORM | 1.000000 | < R > | .385751 | < R2 > | .174547 | < 1/R > | 3.806527 | < 1/R**2 > | 58.925356 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.184390 | .94511511 |
2 | 1s | 26.903688 | .05233297 |
3 | 2s | 15.392880 | .01876088 |
4 | 3s | 21.571801 | -.01475463 |
5 | 4s | 32.445758 | .00255809 |
6 | 5s | 61.036720 | .00010872 |
7 | 5s | 12.723244 | .00039334 |
ORB.ENERGY,a.u. | -130.480000 |
NORM | 1.000000 | < R > | .085716 | < R2 > | .009850 | < 1/R > | 17.603760 | < 1/R**2 > | 623.903069 |
Total Energy= -455.80512605 a.u.
Kinetic Energy= 455.81740282 a.u.
Potential Energy= -911.62252886 a.u.
Virial Ratio = -1.99997307