(1s 2 2s 2 2p 6 3p 1 ) 2 P Ar 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
1 | 2p | 2.965377 | -.05115576 |
2 | 3p | 3.105510 | -1.13248989 |
3 | 2p | 5.003159 | .40277592 |
4 | 2p | 9.577772 | .15128380 |
5 | 3p | 12.867699 | -.01045430 |
6 | 4p | 36.385077 | -.00060159 |
7 | 5p | 50.787194 | .00017740 |
8 | 4p | .362587 | -.00181439 |
9 | 5p | .479914 | .00164591 |
ORB.ENERGY,a.u. | -4.606400 |
NORM | 1.000000 | < R > | 1.204301 | < R2 > | 1.660483 | < 1/R > | 1.124688 | < 1/R**2 > | 2.756020 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 10.195589 | .45441116 |
2 | 3p | 8.317442 | .46822083 |
3 | 5p | 6.298615 | .01536797 |
4 | 4p | 7.110524 | .16192311 |
5 | 2p | 21.755689 | .00400480 |
6 | 5p | 15.595251 | -.00346504 |
7 | 4p | 65.546350 | .00003070 |
8 | 3p | 101.719309 | .00000323 |
9 | 5p | 3.989335 | .00060932 |
ORB.ENERGY,a.u. | -14.546000 |
NORM | 1.000000 | < R > | .371438 | < R2 > | .170194 | < 1/R > | 3.477141 | < 1/R**2 > | 16.751413 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.415096 | .38827501 |
2 | 2s | 7.555764 | -.84311749 |
3 | 3s | 6.708492 | -.30703549 |
4 | 4s | 30.420983 | .00171574 |
5 | 3s | 17.201218 | .00879242 |
6 | 2s | 6.737370 | .00302831 |
7 | 5s | 5.739288 | -.00354099 |
8 | 5s | 77.168578 | .00000705 |
ORB.ENERGY,a.u. | -17.326000 |
NORM | 1.000000 | < R > | .409638 | < R2 > | .198234 | < 1/R > | 3.575664 | < 1/R**2 > | 52.508968 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.577618 | 1.01032648 |
2 | 2s | 22.826282 | -.01903357 |
3 | 3s | 15.398000 | .01733894 |
4 | 4s | 61.635651 | -.00062210 |
5 | 5s | 12.511330 | .00127119 |
6 | 5s | 75.959309 | .00019046 |
7 | 4s | 13.556191 | -.00210923 |
8 | 2s | 35.654294 | -.00093399 |
9 | 3s | 103.968128 | -.00002919 |
ORB.ENERGY,a.u. | -123.610000 |
NORM | 1.000000 | < R > | .086073 | < R2 > | .009951 | < 1/R > | 17.557524 | < 1/R**2 > | 621.368779 |
Total Energy= -510.57010156 a.u.
Kinetic Energy= 510.57011335 a.u.
Potential Energy= -1021.14021491 a.u.
Virial Ratio = -1.99999998