(1s 2 2s 2 2p 4 3p 1 ) 2 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3.167181 | .21173523 |
| 2 | 3p | 1.212983 | -.81763069 |
| 3 | 4p | 1.808690 | -.23605913 |
| 4 | 2p | 6.421832 | .06116125 |
| 5 | 5p | 9.141317 | .00515636 |
| 6 | 5p | 24.659166 | -.00041883 |
| 7 | 5p | 1.196814 | .01922898 |
| 8 | 4p | 37.246630 | -.00007910 |
| ORB.ENERGY,a.u. | -.736210 | ||
| NORM | 1.000000 | < R > | 2.814681 | < R2 > | 9.016070 | < 1/R > | .454520 | < 1/R**2 > | .432084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.210613 | 1.32592484 |
| 2 | 3p | 3.874947 | -.39829879 |
| 3 | 2p | 8.665451 | .06298740 |
| 4 | 4p | 10.092721 | .02505547 |
| 5 | 5p | 1.590477 | -.00577108 |
| 6 | 5p | 13.270514 | -.00354226 |
| 7 | 3p | 24.416903 | .00018554 |
| 8 | 3p | 1.202710 | .00425277 |
| ORB.ENERGY,a.u. | -3.080100 | ||
| NORM | 1.000000 | < R > | .689071 | < R2 > | .590717 | < 1/R > | 1.895558 | < 1/R**2 > | 5.049847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.078817 | .33398743 |
| 2 | 2s | 4.228024 | -.82896594 |
| 3 | 3s | 3.556655 | -.29477169 |
| 4 | 4s | 13.840494 | .01115068 |
| 5 | 3s | 15.727675 | .00446292 |
| 6 | 5s | 27.267626 | .00041924 |
| 7 | 5s | 2.636864 | -.00193705 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .729261 | < R2 > | .632321 | < 1/R > | 1.988099 | < 1/R**2 > | 16.234194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.242896 | .91124652 |
| 2 | 1s | 15.434192 | .08736720 |
| 3 | 2s | 5.648956 | .01843272 |
| 4 | 3s | 7.071544 | -.01936668 |
| 5 | 4s | 9.010866 | .00958689 |
| 6 | 5s | 26.040513 | .00111226 |
| 7 | 4s | 61.088274 | -.00005490 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142653 | < R2 > | .027379 | < 1/R > | 10.616263 | < 1/R**2 > | 227.819556 |
Total Energy= -158.16420369 a.u.
Kinetic Energy= 158.15987359 a.u.
Potential Energy= -316.32407728 a.u.
Virial Ratio = -2.00002738