(1s 2 2s 2 2p 1 3p 1 ) 3 S Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 5.984490 | .74188572 |
| 2 | 3p | 4.470516 | -1.40521305 |
| 3 | 2p | 12.135138 | .06327228 |
| 4 | 4p | 15.656386 | .01075043 |
| 5 | 5p | 4.046986 | .01882484 |
| 6 | 4p | 3.465602 | -.01217199 |
| 7 | 5p | 45.102416 | -.00009054 |
| ORB.ENERGY,a.u. | -10.273000 | ||
| NORM | 1.000000 | < R > | .881137 | < R2 > | .889566 | < 1/R > | 1.552185 | < 1/R**2 > | 4.944529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.659706 | 1.07160003 |
| 2 | 3p | 8.774872 | -.08900285 |
| 3 | 2p | 18.723401 | .01174401 |
| 4 | 5p | 23.062971 | .00195287 |
| 5 | 5p | 7.892965 | .00912413 |
| 6 | 4p | 7.618859 | -.00050827 |
| 7 | 3p | 62.859166 | .00000890 |
| ORB.ENERGY,a.u. | -26.409000 | ||
| NORM | 1.000000 | < R > | .319315 | < R2 > | .123324 | < 1/R > | 3.951846 | < 1/R**2 > | 21.074310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.388182 | .38860274 |
| 2 | 2s | 7.008448 | -.81587639 |
| 3 | 3s | 10.029020 | -.28651391 |
| 4 | 4s | 33.373461 | .00117074 |
| 5 | 5s | 19.373254 | -.00801553 |
| 6 | 5s | 8.004797 | .01487941 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372859 | < R2 > | .162655 | < 1/R > | 3.948280 | < 1/R**2 > | 63.016226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.200138 | .93991050 |
| 2 | 1s | 26.574458 | .05636863 |
| 3 | 2s | 16.253412 | .02008966 |
| 4 | 3s | 19.981756 | -.01392739 |
| 5 | 4s | 93.658144 | -.00004609 |
| 6 | 5s | 41.203351 | .00077794 |
| 7 | 4s | 3.707017 | -.00001891 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085434 | < R2 > | .009771 | < 1/R > | 17.640983 | < 1/R**2 > | 625.955764 |
Total Energy= -415.44875265 a.u.
Kinetic Energy= 415.46934539 a.u.
Potential Energy= -830.91809804 a.u.
Virial Ratio = -1.99995043