(1s 2 2s 2 2p 5 3d 1 ) 1 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
1 | 3d | 3.034190 | 1.02630806 |
2 | 3d | 9.357871 | .01383838 |
3 | 4d | 3.743359 | -.03141881 |
4 | 5d | 24.548368 | -.00010423 |
ORB.ENERGY,a.u. | -4.549400 |
NORM | 1.000000 | < R > | 1.146023 | < R2 > | 1.506381 | < 1/R > | 1.024658 | < 1/R**2 > | 1.275380 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.399427 | 1.16991754 |
2 | 3p | 7.559387 | -.23190870 |
3 | 2p | 13.904302 | .06221256 |
4 | 4p | 16.835758 | .00830934 |
5 | 5p | 3.587144 | -.00030412 |
6 | 5p | 43.087839 | -.00013322 |
ORB.ENERGY,a.u. | -16.201000 |
NORM | 1.000000 | < R > | .358658 | < R2 > | .157728 | < 1/R > | 3.577865 | < 1/R**2 > | 17.616542 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.296526 | .40147513 |
2 | 2s | 7.698386 | -.84702562 |
3 | 3s | 7.001058 | -.30676320 |
4 | 4s | 18.287380 | .00468515 |
5 | 3s | 19.542968 | .00702040 |
6 | 5s | 36.166741 | .00111233 |
7 | 5s | 6.475953 | -.00491421 |
8 | 4s | 43.336124 | .00031567 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .401413 | < R2 > | .189887 | < 1/R > | 3.651685 | < 1/R**2 > | 54.590375 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.190693 | .93053193 |
2 | 1s | 25.175575 | .06482496 |
3 | 2s | 10.851418 | .02186244 |
4 | 3s | 13.390420 | -.02197212 |
5 | 4s | 16.616929 | .01065864 |
6 | 5s | 42.892902 | .00068667 |
7 | 4s | 99.172013 | -.00003239 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085956 | < R2 > | .009918 | < 1/R > | 17.572537 | < 1/R**2 > | 622.190796 |
Total Energy= -495.18500686 a.u.
Kinetic Energy= 495.02860651 a.u.
Potential Energy= -990.21361338 a.u.
Virial Ratio = -2.00031594