(1s 2 2s 2 2p 3 5s 1 ) 5 S Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 13.780261 | .08801412 |
| 2 | 2s | 5.036820 | -.57778868 |
| 3 | 3s | 2.949770 | 3.08220436 |
| 4 | 4s | 2.569826 | -6.09589591 |
| 5 | 5s | 2.347886 | 4.08564962 |
| 6 | 5s | 18.047730 | -.00426840 |
| 7 | 4s | 36.962372 | .00018190 |
| ORB.ENERGY,a.u. | -2.758600 | ||
| NORM | 1.000000 | < R > | 3.003708 | < R2 > | 10.096295 | < 1/R > | .484766 | < 1/R**2 > | 2.388848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.249031 | 1.26112518 |
| 2 | 3p | 9.244807 | -.31961105 |
| 3 | 4p | 11.436252 | .05598499 |
| 4 | 5p | 38.534335 | -.00030789 |
| 5 | 4p | 3.556390 | .00914893 |
| 6 | 3p | 22.672092 | -.00200475 |
| 7 | 5p | 4.005316 | -.00766646 |
| ORB.ENERGY,a.u. | -22.373000 | ||
| NORM | 1.000000 | < R > | .336863 | < R2 > | .137902 | < 1/R > | 3.769493 | < 1/R**2 > | 19.325197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.437832 | .37289060 |
| 2 | 2s | 6.880319 | -.80914913 |
| 3 | 3s | 10.257469 | -.25390852 |
| 4 | 4s | 28.199909 | .00298392 |
| 5 | 5s | 9.960927 | -.03698377 |
| 6 | 4s | 1.812891 | .07866790 |
| 7 | 5s | 2.088480 | -.04934830 |
| 8 | 3s | 27.443479 | .00094912 |
| 9 | 3s | 1.508863 | -.03085245 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385774 | < R2 > | .174601 | < 1/R > | 3.806418 | < 1/R**2 > | 58.923056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185252 | .94455797 |
| 2 | 1s | 26.755568 | .05303845 |
| 3 | 2s | 14.952374 | .01878308 |
| 4 | 3s | 21.052585 | -.01499828 |
| 5 | 4s | 30.819187 | .00262746 |
| 6 | 5s | 56.924018 | .00021169 |
| 7 | 5s | 11.080700 | .00016176 |
| 8 | 4s | 2.636045 | -.00244371 |
| 9 | 3s | 1.977159 | .00247816 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085710 | < R2 > | .009849 | < 1/R > | 17.604514 | < 1/R**2 > | 623.943985 |
Total Energy= -455.92786166 a.u.
Kinetic Energy= 455.93667319 a.u.
Potential Energy= -911.86453484 a.u.
Virial Ratio = -1.99998067