(1s 2 2s 2 2p 2 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 3.945077 | 1.10972276 |
| 2 | 3p | 4.918006 | -.14926066 |
| 3 | 2p | 9.232337 | .03651545 |
| 4 | 5p | 11.512159 | .00638603 |
| 5 | 4p | 23.046116 | -.00063303 |
| 6 | 5p | 71.988829 | -.00001371 |
| 7 | 5p | 4.022285 | .01182808 |
| ORB.ENERGY,a.u. | -6.325600 | ||
| NORM | 1.000000 | < R > | .612182 | < R2 > | .458035 | < 1/R > | 2.089470 | < 1/R**2 > | 5.995740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.660413 | .32733703 |
| 2 | 2s | 3.801863 | -.80853605 |
| 3 | 3s | 5.314123 | -.28173210 |
| 4 | 4s | 20.564477 | .00150462 |
| 5 | 5s | 11.710390 | -.01175423 |
| 6 | 5s | 6.767240 | .03697190 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .679199 | < R2 > | .542842 | < 1/R > | 2.136758 | < 1/R**2 > | 18.580529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.151149 | .93776329 |
| 2 | 1s | 16.792945 | .07123360 |
| 3 | 2s | 9.288665 | .01756975 |
| 4 | 3s | 16.913019 | -.00966611 |
| 5 | 4s | 13.703023 | -.01567526 |
| 6 | 5s | 28.297934 | .00079197 |
| 7 | 5s | 7.215723 | .00044432 |
| 8 | 3s | 46.014339 | -.00005759 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .142182 | < R2 > | .027154 | < 1/R > | 10.637875 | < 1/R**2 > | 228.528503 |
Total Energy= -148.77057934 a.u.
Kinetic Energy= 148.77058706 a.u.
Potential Energy= -297.54116640 a.u.
Virial Ratio = -1.99999995