(1s 2 2s 2 2p 4 3d 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 1.020850 | 1.03182468 |
| 2 | 3d | 3.779583 | .01776055 |
| 3 | 4d | 1.458794 | -.04854503 |
| 4 | 5d | 5.816230 | -.00190507 |
| 5 | 5d | 1.007387 | .01516398 |
| 6 | 4d | 21.313492 | .00002672 |
| ORB.ENERGY,a.u. | -.500930 | ||
| NORM | 1.000000 | < R > | 3.456164 | < R2 > | 13.714125 | < 1/R > | .340684 | < 1/R**2 > | .142048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.187183 | 1.36049180 |
| 2 | 3p | 3.854807 | -.42909587 |
| 3 | 2p | 8.717502 | .06165030 |
| 4 | 4p | 9.885849 | .02115359 |
| 5 | 5p | 23.666209 | .00047176 |
| 6 | 5p | 2.419491 | .02289424 |
| 7 | 4p | 38.335660 | .00011250 |
| 8 | 4p | 2.145587 | -.02557731 |
| ORB.ENERGY,a.u. | -3.128100 | ||
| NORM | 1.000000 | < R > | .689247 | < R2 > | .591801 | < 1/R > | 1.896406 | < 1/R**2 > | 5.055574 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.072183 | .33493404 |
| 2 | 2s | 4.234213 | -.82968217 |
| 3 | 3s | 3.562277 | -.29490743 |
| 4 | 4s | 13.877455 | .01101424 |
| 5 | 3s | 15.457444 | .00462001 |
| 6 | 5s | 28.368413 | .00036897 |
| 7 | 5s | 2.544955 | -.00100366 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727982 | < R2 > | .629873 | < 1/R > | 1.991519 | < 1/R**2 > | 16.286442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124285 |
| 2 | 1s | 15.433518 | .08736675 |
| 3 | 2s | 5.655575 | .01836700 |
| 4 | 3s | 7.094756 | -.01930112 |
| 5 | 4s | 9.046543 | .00951146 |
| 6 | 5s | 26.225614 | .00114760 |
| 7 | 4s | 61.632799 | -.00004610 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617063 | < 1/R**2 > | 227.846188 |
Total Energy= -157.93982798 a.u.
Kinetic Energy= 157.92469017 a.u.
Potential Energy= -315.86451815 a.u.
Virial Ratio = -2.00009585