(1s 2 2s 2 2p 1 4p 1 ) 3 S Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | 7.960372 | .35423857 |
| 2 | 3p | 3.661414 | -.95010098 |
| 3 | 5p | 3.689015 | 1.41886960 |
| 4 | 4p | 5.301254 | -.34521714 |
| 5 | 5p | 9.883405 | .04298603 |
| 6 | 4p | 23.809464 | -.00279286 |
| 7 | 5p | 3.220404 | .21717461 |
| 8 | 5p | 51.098939 | -.00036042 |
| 9 | 4p | 77.459549 | -.00007583 |
| ORB.ENERGY,a.u. | -5.624900 | ||
| NORM | .999999 | < R > | 1.663727 | < R2 > | 3.132958 | < 1/R > | .855130 | < 1/R**2 > | 2.016344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.619066 | 1.10022310 |
| 2 | 3p | 9.133558 | -.11053310 |
| 3 | 2p | 19.288883 | .00911572 |
| 4 | 5p | 21.819886 | .00196774 |
| 5 | 5p | 51.254358 | -.00006613 |
| 6 | 3p | 3.422730 | -.00029701 |
| ORB.ENERGY,a.u. | -26.941000 | ||
| NORM | 1.000000 | < R > | .319813 | < R2 > | .123617 | < 1/R > | 3.944405 | < 1/R**2 > | 20.995831 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.372080 | .39023526 |
| 2 | 2s | 7.029302 | -.81667866 |
| 3 | 3s | 10.043053 | -.28720789 |
| 4 | 4s | 33.198552 | .00129138 |
| 5 | 5s | 19.299912 | -.00782558 |
| 6 | 5s | 7.724634 | .01602721 |
| 7 | 4s | 3.434441 | .00021552 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371837 | < R2 > | .161670 | < 1/R > | 3.958935 | < 1/R**2 > | 63.322802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.200490 | .93948937 |
| 2 | 1s | 26.442141 | .05708655 |
| 3 | 2s | 15.886693 | .02009458 |
| 4 | 3s | 19.446703 | -.01421603 |
| 5 | 4s | 87.050017 | -.00006269 |
| 6 | 5s | 40.944262 | .00061967 |
| 7 | 4s | 4.845793 | .00001157 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085412 | < R2 > | .009766 | < 1/R > | 17.644055 | < 1/R**2 > | 626.128766 |
Total Energy= -410.82706460 a.u.
Kinetic Energy= 410.82941356 a.u.
Potential Energy= -821.65647816 a.u.
Virial Ratio = -1.99999428