(1s 2 2s 2 2p 2 4p 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 4p- electron | |
| 1 | 2p | 4.981281 | .19719057 |
| 2 | 3p | 1.067581 | -.43169738 |
| 3 | 5p | 1.504190 | 1.36506400 |
| 4 | 4p | 2.380989 | -.65805739 |
| 5 | 5p | 6.340047 | .02598337 |
| 6 | 5p | 35.702853 | -.00018566 |
| 7 | 4p | 51.480924 | -.00004241 |
| 8 | 4p | 15.509573 | -.00250839 |
| 9 | 5p | 1.241683 | .20824375 |
| ORB.ENERGY,a.u. | -.920650 | ||
| NORM | 1.000001 | < R > | 3.902707 | < R2 > | 17.212873 | < 1/R > | .358681 | < 1/R**2 > | .370092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.867295 | 1.23615950 |
| 2 | 3p | 4.725565 | -.25824463 |
| 3 | 2p | 10.825739 | .01929185 |
| 4 | 4p | 11.765234 | .00430251 |
| 5 | 5p | 23.272441 | -.00037567 |
| 6 | 5p | 2.012652 | -.00346974 |
| 7 | 4p | 2.070468 | .00476135 |
| ORB.ENERGY,a.u. | -5.964600 | ||
| NORM | 1.000000 | < R > | .612755 | < R2 > | .459106 | < 1/R > | 2.088314 | < 1/R**2 > | 5.990742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.995474 | .36367785 |
| 2 | 2s | 4.430144 | -.82547227 |
| 3 | 3s | 4.506612 | -.26837580 |
| 4 | 4s | 17.889162 | .00275441 |
| 5 | 3s | 10.672101 | .01891461 |
| 6 | 5s | 4.496657 | -.04446103 |
| 7 | 4s | 1.100714 | .00017182 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680372 | < R2 > | .544887 | < 1/R > | 2.133114 | < 1/R**2 > | 18.521939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.125436 | .89388204 |
| 2 | 1s | 15.385329 | .10652683 |
| 3 | 2s | 9.545038 | .01807472 |
| 4 | 3s | 11.721326 | -.01493106 |
| 5 | 5s | 26.568795 | .00132021 |
| 6 | 4s | 66.749047 | -.00003450 |
| 7 | 5s | 8.651962 | .00093858 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142199 | < R2 > | .027161 | < 1/R > | 10.637010 | < 1/R**2 > | 228.499431 |
Total Energy= -149.68440402 a.u.
Kinetic Energy= 149.69097282 a.u.
Potential Energy= -299.37537684 a.u.
Virial Ratio = -1.99995612