(1s 2 2s 2 2p 1 3p 1 ) 3 P Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 4.006867 | 1.06471966 |
2 | 3p | 4.518588 | -1.98804524 |
3 | 2p | 14.979159 | .00568867 |
4 | 4p | 8.001955 | .03014799 |
5 | 5p | 21.571864 | .00128889 |
6 | 5p | 4.256471 | -.01098392 |
7 | 4p | 22.444705 | .00026347 |
ORB.ENERGY,a.u. | -10.337000 |
NORM | 1.000000 | < R > | .898853 | < R2 > | .891668 | < 1/R > | 1.259835 | < 1/R**2 > | 2.058040 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.362110 | 1.06617932 |
2 | 3p | 4.318965 | -.35869251 |
3 | 2p | 12.468041 | .09580243 |
4 | 5p | 16.274523 | .00607772 |
5 | 4p | 30.323146 | -.00305816 |
6 | 5p | 4.218279 | .01913743 |
7 | 5p | 36.241822 | .00050500 |
8 | 3p | 3.153067 | -.01111529 |
9 | 3p | 43.042589 | -.00027424 |
ORB.ENERGY,a.u. | -26.473000 |
NORM | 1.000000 | < R > | .305915 | < R2 > | .127812 | < 1/R > | 4.219915 | < 1/R**2 > | 23.724105 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.389685 | .38860671 |
2 | 2s | 7.006853 | -.81593836 |
3 | 3s | 10.037869 | -.28649786 |
4 | 4s | 33.396069 | .00118518 |
5 | 5s | 19.315872 | -.00796859 |
6 | 5s | 7.983226 | .01495198 |
ORB.ENERGY,a.u. | -26.841000 |
NORM | 1.000000 | < R > | .372814 | < R2 > | .162614 | < 1/R > | 3.948850 | < 1/R**2 > | 63.034255 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.198993 | .93999723 |
2 | 1s | 26.565434 | .05639767 |
3 | 2s | 16.193102 | .02003592 |
4 | 3s | 19.911277 | -.01400664 |
5 | 4s | 93.189671 | -.00004799 |
6 | 5s | 41.059351 | .00076757 |
7 | 4s | 4.129494 | -.00002021 |
ORB.ENERGY,a.u. | -137.760000 |
NORM | 1.000000 | < R > | .085434 | < R2 > | .009771 | < 1/R > | 17.640940 | < 1/R**2 > | 625.950931 |
Total Energy= -415.53326002 a.u.
Kinetic Energy= 415.11374702 a.u.
Potential Energy= -830.64700704 a.u.
Virial Ratio = -2.00101060