(1s 2 2s 2 2p 1 4s 1 ) 1 P Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
1 | 1s | 13.538736 | .14228435 |
2 | 2s | 3.958862 | -1.75982317 |
3 | 3s | 3.849382 | 4.02174491 |
4 | 4s | 3.402496 | -2.89962972 |
5 | 5s | 10.895191 | -.03535360 |
6 | 4s | 14.238353 | -.02176338 |
7 | 5s | 40.307670 | .00022029 |
ORB.ENERGY,a.u. | -5.837800 |
NORM | 1.000000 | < R > | 1.679810 | < R2 > | 3.169150 | < 1/R > | .861754 | < 1/R**2 > | 5.856894 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.597556 | 1.07611919 |
2 | 3p | 9.103636 | -.08614745 |
3 | 2p | 17.957498 | .01416506 |
4 | 5p | 23.990686 | .00227101 |
5 | 5p | 5.214449 | .00054645 |
6 | 4p | 8.293239 | -.00478715 |
ORB.ENERGY,a.u. | -26.934000 |
NORM | 1.000000 | < R > | .320454 | < R2 > | .124100 | < 1/R > | 3.936497 | < 1/R**2 > | 20.915256 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.243640 | .39603676 |
2 | 2s | 7.089981 | -.83580897 |
3 | 3s | 10.139427 | -.28074407 |
4 | 4s | 29.178114 | .00386066 |
5 | 5s | 4.961146 | -.00962690 |
6 | 4s | 5.434559 | .02338412 |
7 | 2s | 87.764705 | -.00001036 |
8 | 3s | 1.489319 | -.00579325 |
9 | 5s | 68.121761 | .00007584 |
10 | 5s | 1.894390 | .00375121 |
ORB.ENERGY,a.u. | -26.841000 |
NORM | 1.000000 | < R > | .371178 | < R2 > | .161127 | < 1/R > | 3.967200 | < 1/R**2 > | 63.575407 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.197724 | .93813642 |
2 | 1s | 26.153768 | .05888502 |
3 | 2s | 15.183714 | .02034417 |
4 | 3s | 18.698203 | -.01461011 |
5 | 4s | 60.612966 | -.00013456 |
6 | 5s | 44.155265 | .00035647 |
7 | 5s | 3.330689 | .00136899 |
8 | 3s | 2.396107 | -.00110845 |
9 | 3s | 72.786393 | -.00006973 |
ORB.ENERGY,a.u. | -137.760000 |
NORM | 1.000000 | < R > | .085410 | < R2 > | .009766 | < 1/R > | 17.644536 | < 1/R**2 > | 626.155268 |
Total Energy= -411.05434805 a.u.
Kinetic Energy= 411.03341599 a.u.
Potential Energy= -822.08776404 a.u.
Virial Ratio = -2.00005093