(1s 2 2s 2 2p 6 5d 1 ) 2 D Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | .237730 | 1.96161625 |
| 2 | 4d | .200645 | -6.44252453 |
| 3 | 5d | .199380 | 5.24666814 |
| 4 | 3d | 1.513755 | .01527802 |
| 5 | 4d | 1.889932 | -.01170450 |
| 6 | 5d | 4.309958 | -.00082910 |
| ORB.ENERGY,a.u. | -.020038 | ||
| NORM | 1.000020 | < R > | 34.421056 | < R2 > | 1344.446988 | < 1/R > | .040225 | < 1/R**2 > | .003280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.842434 | .37035484 |
| 2 | 3p | 4.433469 | .48201271 |
| 3 | 4p | 3.108582 | .16760089 |
| 4 | 5p | 4.346435 | .06808082 |
| 5 | 2p | 12.869713 | .00530159 |
| 6 | 3p | 2.044067 | .07222917 |
| 7 | 5p | 26.381851 | -.00013422 |
| 8 | 4p | 1.755587 | -.00229177 |
| 9 | 2p | 121.893964 | -.00000011 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796255 | < R2 > | .815913 | < 1/R > | 1.699188 | < 1/R**2 > | 4.197404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.119164 | .31155584 |
| 2 | 2s | 4.295305 | -.73514488 |
| 3 | 3s | 3.378348 | -.37872062 |
| 4 | 4s | 13.342081 | .00762935 |
| 5 | 3s | 13.878771 | .00757868 |
| 6 | 4s | 2.774164 | -.02914406 |
| 7 | 5s | 42.705112 | -.00005652 |
| 8 | 2s | 14.137563 | .00023407 |
| 9 | 3s | 35.120773 | -.00009634 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779119 | < R2 > | .731436 | < 1/R > | 1.866965 | < 1/R**2 > | 14.446794 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608170 | 1.01719268 |
| 2 | 2s | 14.003738 | -.03248608 |
| 3 | 3s | 8.618016 | .02560910 |
| 4 | 4s | 56.474450 | -.00002546 |
| 5 | 4s | 20.827788 | .00312032 |
| 6 | 5s | 10.608279 | -.00608886 |
| 7 | 4s | 4.645057 | .00070631 |
| 8 | 3s | 85.257728 | -.00000310 |
| 9 | 5s | 2.091229 | .00000922 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142860 | < R2 > | .027482 | < 1/R > | 10.607309 | < 1/R**2 > | 227.531735 |
Total Energy= -161.69726473 a.u.
Kinetic Energy= 161.69700199 a.u.
Potential Energy= -323.39426673 a.u.
Virial Ratio = -2.00000162