(1s 2 2s 2 2p 4 5p 1 ) 4 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 5.212448 | .26828512 |
2 | 3p | 2.642169 | -2.44734296 |
3 | 4p | 2.341869 | 5.08407415 |
4 | 5p | 2.096216 | -3.51704107 |
5 | 2p | 10.666867 | .04971455 |
6 | 5p | 17.107424 | .00232479 |
7 | 4p | 39.523607 | -.00013376 |
8 | 2p | 1.285260 | .03534820 |
ORB.ENERGY,a.u. | -2.224400 |
NORM | .999999 | < R > | 3.285473 | < R2 > | 12.136700 | < 1/R > | .439974 | < 1/R**2 > | .704481 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 4p | 16.392132 | .01084110 |
2 | 2p | 6.514730 | 1.12589892 |
3 | 3p | 7.271556 | -.20247551 |
4 | 2p | 13.654778 | .07257787 |
5 | 5p | 42.558908 | -.00012360 |
6 | 5p | 1.578766 | .00050607 |
7 | 4p | 3.630046 | -.00091484 |
ORB.ENERGY,a.u. | -19.340000 |
NORM | 1.000000 | < R > | .347909 | < R2 > | .147777 | < 1/R > | 3.669656 | < 1/R**2 > | 18.426792 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.150130 | .41654399 |
2 | 2s | 7.824514 | -.86279174 |
3 | 3s | 7.306850 | -.30259904 |
4 | 4s | 14.690337 | .00337085 |
5 | 3s | 17.577889 | .01390564 |
6 | 5s | 38.741223 | .00071457 |
7 | 5s | 7.258631 | -.00462848 |
8 | 3s | 72.899541 | -.00002656 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .393125 | < R2 > | .181631 | < 1/R > | 3.731168 | < 1/R**2 > | 56.795875 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.131991 | .92015085 |
2 | 1s | 24.627776 | .07623926 |
3 | 2s | 11.257375 | .02015102 |
4 | 3s | 13.625457 | -.02041315 |
5 | 4s | 16.327133 | .00894267 |
6 | 5s | 44.119331 | .00069377 |
7 | 4s | 102.372270 | -.00002573 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085844 | < R2 > | .009886 | < 1/R > | 17.586936 | < 1/R**2 > | 622.978480 |
Total Energy= -475.12149162 a.u.
Kinetic Energy= 475.13778064 a.u.
Potential Energy= -950.25927226 a.u.
Virial Ratio = -1.99996572