(1s 2 2s 2 2p 6 4d 1 ) 2 D Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .273385 | 1.57242186 |
| 2 | 4d | .248009 | -2.06017120 |
| 3 | 3d | 1.564217 | .01802762 |
| 4 | 4d | 1.948813 | -.01362762 |
| 5 | 5d | 4.426569 | -.00094324 |
| ORB.ENERGY,a.u. | -.031315 | ||
| NORM | 1.000011 | < R > | 20.937480 | < R2 > | 501.370373 | < 1/R > | .062889 | < 1/R**2 > | .006394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.842439 | .37035390 |
| 2 | 3p | 4.433464 | .48201407 |
| 3 | 4p | 3.108561 | .16760225 |
| 4 | 5p | 4.346393 | .06808155 |
| 5 | 2p | 12.869659 | .00530156 |
| 6 | 3p | 2.044070 | .07222899 |
| 7 | 5p | 26.379750 | -.00013429 |
| 8 | 4p | 1.760625 | -.00228320 |
| 9 | 2p | 122.100862 | -.00000011 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .796261 | < R2 > | .815931 | < 1/R > | 1.699184 | < 1/R**2 > | 4.197390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.119175 | .31155530 |
| 2 | 2s | 4.295316 | -.73514502 |
| 3 | 3s | 3.378363 | -.37872071 |
| 4 | 4s | 13.340632 | .00763222 |
| 5 | 3s | 13.880241 | .00757810 |
| 6 | 4s | 2.774015 | -.02914819 |
| 7 | 5s | 42.712349 | -.00005697 |
| 8 | 2s | 14.113518 | .00023498 |
| 9 | 3s | 35.149253 | -.00009603 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779120 | < R2 > | .731438 | < 1/R > | 1.866964 | < 1/R**2 > | 14.446792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608170 | 1.01719267 |
| 2 | 2s | 14.003733 | -.03248608 |
| 3 | 3s | 8.618023 | .02560908 |
| 4 | 4s | 56.475624 | -.00002546 |
| 5 | 4s | 20.827784 | .00312032 |
| 6 | 5s | 10.608283 | -.00608886 |
| 7 | 4s | 4.645035 | .00070631 |
| 8 | 3s | 85.267046 | -.00000310 |
| 9 | 5s | 2.090455 | .00000922 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142860 | < R2 > | .027482 | < 1/R > | 10.607309 | < 1/R**2 > | 227.531734 |
Total Energy= -161.70870007 a.u.
Kinetic Energy= 161.70827554 a.u.
Potential Energy= -323.41697561 a.u.
Virial Ratio = -2.00000263