(1s 2 2s 2 2p 5 3p 1 ) 3 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 2.910148 | .24646187 |
| 2 | 3p | 1.045272 | -.93381794 |
| 3 | 4p | 4.360138 | -.05369045 |
| 4 | 2p | 7.537986 | .02641087 |
| 5 | 5p | 11.830556 | .00242183 |
| 6 | 5p | 1.004526 | -.11388429 |
| 7 | 4p | 34.673068 | -.00002253 |
| ORB.ENERGY,a.u. | -.377140 | ||
| NORM | 1.000000 | < R > | 3.591038 | < R2 > | 14.822558 | < 1/R > | .356346 | < 1/R**2 > | .274657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.752216 | 1.45628826 |
| 2 | 3p | 3.340364 | -.56257477 |
| 3 | 2p | 7.538594 | .11289659 |
| 4 | 4p | 8.580404 | .02717892 |
| 5 | 5p | 2.307193 | .01395276 |
| 6 | 4p | 2.476142 | -.03308466 |
| 7 | 5p | 37.741376 | .00004355 |
| 8 | 3p | .655031 | .00052347 |
| 9 | 4p | 23.484188 | -.00033497 |
| ORB.ENERGY,a.u. | -2.182000 | ||
| NORM | 1.000000 | < R > | .740499 | < R2 > | .693703 | < 1/R > | 1.794068 | < 1/R**2 > | 4.598200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.130620 | .32057037 |
| 2 | 2s | 4.161130 | -.81326119 |
| 3 | 3s | 3.302932 | -.31790891 |
| 4 | 4s | 14.737585 | .01153391 |
| 5 | 3s | 19.579785 | .00200072 |
| 6 | 5s | 28.222293 | .00043468 |
| 7 | 5s | 2.374580 | -.00677508 |
| 8 | 4s | 2.682477 | .01002362 |
| 9 | 3s | 1.479973 | .00230517 |
| 10 | 2s | 79.729159 | .00000178 |
| 11 | 2s | .479464 | -.00014261 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753933 | < R2 > | .679978 | < 1/R > | 1.924970 | < 1/R**2 > | 15.286628 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229740 | .91336987 |
| 2 | 1s | 15.492632 | .08642730 |
| 3 | 2s | 5.350861 | .01504566 |
| 4 | 3s | 7.012250 | -.01794329 |
| 5 | 4s | 9.100590 | .01108035 |
| 6 | 5s | 25.764537 | .00103776 |
| 7 | 4s | 58.546555 | -.00006180 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142779 | < R2 > | .027441 | < 1/R > | 10.610765 | < 1/R**2 > | 227.642009 |
Total Energy= -160.36910795 a.u.
Kinetic Energy= 160.37452197 a.u.
Potential Energy= -320.74362992 a.u.
Virial Ratio = -1.99996624