(1s 2 2s 2 2p 2 3d 1 ) 2 F Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 4.049996 | 1.07523748 |
| 2 | 3d | 9.738923 | .01910268 |
| 3 | 4d | 4.813297 | -.07406008 |
| 4 | 5d | 29.376637 | -.00013762 |
| 5 | 5d | 4.320519 | -.01476645 |
| ORB.ENERGY,a.u. | -8.170000 | ||
| NORM | 1.000000 | < R > | .846054 | < R2 > | .822329 | < 1/R > | 1.389708 | < 1/R**2 > | 2.345039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.213626 | 1.15330339 |
| 2 | 3p | 8.325398 | -.17588244 |
| 3 | 2p | 17.066537 | .01939432 |
| 4 | 4p | 18.629375 | .00407184 |
| 5 | 5p | 40.844079 | -.00021564 |
| 6 | 5p | 7.536973 | -.00405257 |
| 7 | 4p | 7.348260 | .00144008 |
| ORB.ENERGY,a.u. | -23.611000 | ||
| NORM | 1.000000 | < R > | .328471 | < R2 > | .130776 | < 1/R > | 3.853519 | < 1/R**2 > | 20.119791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.050928 | .43692537 |
| 2 | 2s | 7.993220 | -.87155091 |
| 3 | 3s | 8.121804 | -.28740469 |
| 4 | 4s | 30.283580 | .00192244 |
| 5 | 3s | 16.731082 | .01563899 |
| 6 | 5s | 7.964199 | -.02094689 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .379666 | < R2 > | .168924 | < 1/R > | 3.872845 | < 1/R**2 > | 60.827262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683722 |
| 2 | 1s | 25.714711 | .07171011 |
| 3 | 2s | 15.771478 | .01936770 |
| 4 | 3s | 19.687072 | -.01554959 |
| 5 | 5s | 42.513047 | .00077783 |
| 6 | 4s | 99.387705 | -.00003355 |
| 7 | 5s | 12.591892 | .00024074 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009808 | < 1/R > | 17.624158 | < 1/R**2 > | 625.030900 |
Total Energy= -438.69008153 a.u.
Kinetic Energy= 438.56635909 a.u.
Potential Energy= -877.25644062 a.u.
Virial Ratio = -2.00028211