(1s 2 2s 1 4d 1 ) 3 D Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 4.109975 | 1.55789491 |
| 2 | 4d | 3.750311 | -2.06450575 |
| 3 | 3d | 8.713018 | .01753047 |
| 4 | 4d | 13.012505 | -.00149885 |
| 5 | 5d | 27.277627 | -.00025633 |
| ORB.ENERGY,a.u. | -7.109500 | ||
| NORM | 1.000000 | < R > | 1.383695 | < R2 > | 2.188653 | < 1/R > | .950710 | < 1/R**2 > | 1.457331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.589027 | .44012708 |
| 2 | 2s | 7.926824 | -.81954202 |
| 3 | 3s | 9.407857 | -.30555593 |
| 4 | 5s | 16.314879 | -.01981051 |
| 5 | 4s | 33.196014 | .00423772 |
| 6 | 5s | 44.580395 | -.00103870 |
| 7 | 4s | 6.668550 | .00088066 |
| 8 | 3s | 81.694593 | .00002834 |
| ORB.ENERGY,a.u. | -32.848000 | ||
| NORM | 1.000000 | < R > | .358955 | < R2 > | .150271 | < 1/R > | 4.120480 | < 1/R**2 > | 68.356886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.363375 | .93832628 |
| 2 | 1s | 27.347018 | .04904832 |
| 3 | 2s | 21.997399 | .01685630 |
| 4 | 3s | 11.996126 | .00102689 |
| 5 | 4s | 72.945872 | -.00039071 |
| 6 | 5s | 97.792315 | .00014310 |
| 7 | 5s | 8.103036 | .00005041 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085202 | < R2 > | .009710 | < 1/R > | 17.674526 | < 1/R**2 > | 627.876945 |
Total Energy= -353.68420049 a.u.
Kinetic Energy= 353.55180016 a.u.
Potential Energy= -707.23600066 a.u.
Virial Ratio = -2.00037449