(1s 2 2s 2 2p 4 3p 1 ) 4 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 6.216498 | .48571741 |
2 | 3p | 3.738738 | -.93306875 |
3 | 4p | 4.209873 | -.23174151 |
4 | 2p | 11.543272 | .07470489 |
5 | 5p | 18.168424 | .00459410 |
6 | 5p | 48.914149 | -.00019825 |
7 | 4p | 76.179002 | -.00002916 |
8 | 5p | 3.487302 | -.00787683 |
ORB.ENERGY,a.u. | -6.754100 |
NORM | 1.000000 | < R > | 1.029182 | < R2 > | 1.216396 | < 1/R > | 1.336628 | < 1/R**2 > | 3.816562 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.255260 | 1.20263238 |
2 | 3p | 6.893390 | -.29691856 |
3 | 2p | 13.376679 | .08184620 |
4 | 4p | 15.897976 | .01215009 |
5 | 5p | 45.616591 | -.00011421 |
6 | 5p | 4.066811 | .00128592 |
ORB.ENERGY,a.u. | -18.645000 |
NORM | 1.000000 | < R > | .349570 | < R2 > | .149483 | < 1/R > | 3.657561 | < 1/R**2 > | 18.325246 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.195440 | .41338788 |
2 | 2s | 7.792708 | -.85907799 |
3 | 3s | 7.368655 | -.30030294 |
4 | 4s | 12.664755 | .00419337 |
5 | 3s | 17.236014 | .01464192 |
6 | 5s | 39.178357 | .00067705 |
7 | 5s | 7.016430 | -.01113468 |
8 | 4s | 4.775114 | -.00017448 |
9 | 3s | 73.106519 | -.00002399 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .394308 | < R2 > | .182855 | < 1/R > | 3.720433 | < 1/R**2 > | 56.500742 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.133363 | .92057178 |
2 | 1s | 24.672704 | .07564397 |
3 | 2s | 11.458740 | .01991077 |
4 | 3s | 13.796998 | -.02002161 |
5 | 4s | 16.445206 | .00909487 |
6 | 5s | 43.823614 | .00069375 |
7 | 4s | 102.309257 | -.00002709 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085863 | < R2 > | .009891 | < 1/R > | 17.584405 | < 1/R**2 > | 622.837081 |
Total Energy= -479.55396321 a.u.
Kinetic Energy= 479.66132866 a.u.
Potential Energy= -959.21529187 a.u.
Virial Ratio = -1.99977616