(1s 2 2s 2 2p 4 ) 1 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 3.646223 | 1.50952111 |
| 2 | 3p | 4.929972 | -.64119030 |
| 3 | 4p | 6.276910 | .11002003 |
| 4 | 5p | 3.273747 | .05521637 |
| 5 | 4p | 17.218945 | -.00311189 |
| 6 | 4p | 2.500332 | -.01892771 |
| 7 | 5p | 39.079633 | -.00024407 |
| 8 | 3p | 1.716071 | .00335317 |
| 9 | 4p | 59.546460 | -.00005017 |
| ORB.ENERGY,a.u. | -3.420600 | ||
| NORM | 1.000000 | < R > | .692423 | < R2 > | .597926 | < 1/R > | 1.890338 | < 1/R**2 > | 5.030734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.065430 | .33571254 |
| 2 | 2s | 4.209914 | -.84548028 |
| 3 | 3s | 3.539038 | -.27538936 |
| 4 | 4s | 14.521339 | .00443515 |
| 5 | 3s | 11.945819 | .01137321 |
| 6 | 5s | 5.023466 | -.00407187 |
| 7 | 5s | 28.904780 | .00030144 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .727002 | < R2 > | .627930 | < 1/R > | 1.993960 | < 1/R**2 > | 16.322962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.153497 | .90129174 |
| 2 | 1s | 15.440959 | .09910263 |
| 3 | 2s | 8.270649 | .01762956 |
| 4 | 3s | 12.418534 | -.01542725 |
| 5 | 4s | 19.635034 | .00398403 |
| 6 | 5s | 37.391916 | .00017105 |
| 7 | 5s | 6.513606 | .00073044 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142629 | < R2 > | .027368 | < 1/R > | 10.617395 | < 1/R**2 > | 227.857024 |
Total Energy= -157.42328816 a.u.
Kinetic Energy= 157.27641372 a.u.
Potential Energy= -314.69970188 a.u.
Virial Ratio = -2.00093386