(1s 2 2s 2 2p 5 5s 1 ) 1 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
1 | 1s | 14.593996 | .06606899 |
2 | 2s | 5.038206 | -.38268677 |
3 | 3s | 2.486123 | 2.75060114 |
4 | 4s | 2.295225 | -4.94552602 |
5 | 5s | 1.962838 | 3.05526256 |
6 | 5s | 17.554917 | -.00614367 |
7 | 4s | 22.200209 | -.00263153 |
8 | 5s | 64.337246 | -.00006526 |
9 | 4s | 96.131222 | -.00001457 |
ORB.ENERGY,a.u. | -1.940500 |
NORM | .999999 | < R > | 3.494066 | < R2 > | 13.662838 | < 1/R > | .409054 | < 1/R**2 > | 1.639404 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.387224 | 1.17342061 |
2 | 3p | 7.522783 | -.23526288 |
3 | 2p | 13.941205 | .06192411 |
4 | 4p | 17.114770 | .00807349 |
5 | 5p | 41.061211 | -.00015081 |
6 | 5p | 4.568877 | .00026652 |
ORB.ENERGY,a.u. | -17.197000 |
NORM | 1.000000 | < R > | .358919 | < R2 > | .157993 | < 1/R > | 3.575838 | < 1/R**2 > | 17.598796 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.669712 | .35060500 |
2 | 2s | 6.588372 | -.78684505 |
3 | 3s | 10.301397 | -.22154217 |
4 | 4s | 8.183892 | -.07517053 |
5 | 5s | 21.533362 | -.00660439 |
6 | 5s | 1.651641 | .02701627 |
7 | 4s | 1.404538 | -.02898007 |
8 | 3s | 55.025588 | -.00007085 |
9 | 2s | .786160 | .00320111 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .400493 | < R2 > | .188956 | < 1/R > | 3.659594 | < 1/R**2 > | 54.804710 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.190024 | .93060589 |
2 | 1s | 25.288035 | .06436909 |
3 | 2s | 11.967905 | .02087868 |
4 | 3s | 14.956028 | -.01907533 |
5 | 4s | 17.825596 | .00926365 |
6 | 5s | 43.377008 | .00066634 |
7 | 3s | 67.419099 | -.00007095 |
8 | 5s | 1.278489 | -.00180518 |
9 | 4s | 1.046130 | .00166040 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085958 | < R2 > | .009919 | < 1/R > | 17.572231 | < 1/R**2 > | 622.172799 |
Total Energy= -492.42259652 a.u.
Kinetic Energy= 492.41595592 a.u.
Potential Energy= -984.83855245 a.u.
Virial Ratio = -2.00001349