(1s 2 2s 2 2p 5 5p 1 ) 3 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5.006788 | .22967612 |
2 | 3p | 2.467607 | -2.10617171 |
3 | 4p | 2.070788 | 5.17148372 |
4 | 5p | 1.930358 | -3.76555981 |
5 | 5p | 17.439274 | .00155089 |
6 | 2p | 10.572077 | .04997318 |
7 | 5p | 1.714759 | -.14746312 |
8 | 4p | 39.818008 | -.00010454 |
ORB.ENERGY,a.u. | -1.820900 |
NORM | 1.000002 | < R > | 3.609138 | < R2 > | 14.647358 | < 1/R > | .399130 | < 1/R**2 > | .585548 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.398363 | 1.16978678 |
2 | 3p | 7.555470 | -.23151422 |
3 | 2p | 13.927608 | .06188810 |
4 | 4p | 16.962286 | .00820352 |
5 | 5p | 41.994997 | -.00014012 |
6 | 5p | 4.725258 | .00045227 |
ORB.ENERGY,a.u. | -17.177000 |
NORM | 1.000000 | < R > | .358895 | < R2 > | .157974 | < 1/R > | 3.576077 | < 1/R**2 > | 17.601053 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.335814 | .40035079 |
2 | 2s | 7.681793 | -.84669149 |
3 | 3s | 7.016388 | -.30618347 |
4 | 4s | 18.779845 | .00509959 |
5 | 3s | 21.319532 | .00698003 |
6 | 5s | 37.842725 | .00057173 |
7 | 5s | 5.995257 | -.00348248 |
8 | 4s | 4.006092 | .00177555 |
9 | 3s | 2.799161 | -.00065876 |
10 | 2s | 93.368591 | .00000753 |
ORB.ENERGY,a.u. | -18.309000 |
NORM | 1.000000 | < R > | .400759 | < R2 > | .189159 | < 1/R > | 3.656817 | < 1/R**2 > | 54.726071 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.190273 | .93053555 |
2 | 1s | 25.176358 | .06482478 |
3 | 2s | 10.844019 | .02187881 |
4 | 3s | 13.382407 | -.02198526 |
5 | 4s | 16.613033 | .01066382 |
6 | 5s | 42.652120 | .00068228 |
7 | 4s | 99.717951 | -.00003414 |
ORB.ENERGY,a.u. | -124.690000 |
NORM | 1.000000 | < R > | .085959 | < R2 > | .009919 | < 1/R > | 17.572095 | < 1/R**2 > | 622.165514 |
Total Energy= -492.30317774 a.u.
Kinetic Energy= 492.29905553 a.u.
Potential Energy= -984.60223327 a.u.
Virial Ratio = -2.00000837