(1s 2 2s 2 2p 3 4d 1 ) 5 D Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 3.202868 | 1.23702619 |
| 2 | 4d | 2.794535 | -1.80375840 |
| 3 | 3d | 8.107774 | .04713549 |
| 4 | 4d | 6.054536 | .04428264 |
| 5 | 5d | 29.050933 | -.00013903 |
| ORB.ENERGY,a.u. | -3.938700 | ||
| NORM | 1.000000 | < R > | 1.819153 | < R2 > | 3.793308 | < 1/R > | .732924 | < 1/R**2 > | .896557 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.262742 | 1.25350966 |
| 2 | 3p | 9.455630 | -.32792754 |
| 3 | 4p | 11.974784 | .06815903 |
| 4 | 5p | 23.310358 | .00327484 |
| 5 | 4p | 4.797050 | .00371369 |
| 6 | 5p | 23.202316 | -.00013686 |
| 7 | 5p | 4.349768 | -.00158833 |
| ORB.ENERGY,a.u. | -22.085000 | ||
| NORM | 1.000000 | < R > | .337263 | < R2 > | .138257 | < 1/R > | 3.766023 | < 1/R**2 > | 19.295295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.084394 | .42767008 |
| 2 | 2s | 7.912878 | -.87037981 |
| 3 | 3s | 7.706692 | -.29151552 |
| 4 | 4s | 30.809815 | .00182803 |
| 5 | 3s | 16.318162 | .01603852 |
| 6 | 5s | 7.888733 | -.01341092 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385974 | < R2 > | .174772 | < 1/R > | 3.804358 | < 1/R**2 > | 58.862329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185019 | .94510718 |
| 2 | 1s | 26.903682 | .05233483 |
| 3 | 2s | 15.424882 | .01874195 |
| 4 | 3s | 21.574188 | -.01475396 |
| 5 | 4s | 32.485799 | .00255510 |
| 6 | 5s | 61.062502 | .00010821 |
| 7 | 5s | 12.703577 | .00041928 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085710 | < R2 > | .009849 | < 1/R > | 17.604612 | < 1/R**2 > | 623.951648 |
Total Energy= -457.09422279 a.u.
Kinetic Energy= 457.12205790 a.u.
Potential Energy= -914.21628069 a.u.
Virial Ratio = -1.99993911