(1s 2 2s 2 2p 4 4d 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | .822887 | 1.54951652 |
| 2 | 4d | .746581 | -2.04465343 |
| 3 | 3d | 4.099218 | .01212900 |
| 4 | 4d | 2.663826 | .01064649 |
| 5 | 5d | 8.591454 | -.00030915 |
| ORB.ENERGY,a.u. | -.282820 | ||
| NORM | 1.000000 | < R > | 6.922818 | < R2 > | 54.967091 | < 1/R > | .192441 | < 1/R**2 > | .061514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.193648 | 1.35916991 |
| 2 | 3p | 3.867857 | -.42675814 |
| 3 | 2p | 8.726472 | .06102408 |
| 4 | 4p | 9.898503 | .02070665 |
| 5 | 5p | 23.853530 | .00043205 |
| 6 | 5p | 2.462553 | .02021890 |
| 7 | 4p | 38.679306 | .00010473 |
| 8 | 4p | 2.198671 | -.02289340 |
| ORB.ENERGY,a.u. | -3.325400 | ||
| NORM | 1.000000 | < R > | .689196 | < R2 > | .591641 | < 1/R > | 1.896407 | < 1/R**2 > | 5.055413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.074299 | .33490287 |
| 2 | 2s | 4.231586 | -.83029778 |
| 3 | 3s | 3.563643 | -.29402240 |
| 4 | 4s | 13.874277 | .01049691 |
| 5 | 3s | 15.100754 | .00498871 |
| 6 | 5s | 28.454773 | .00034469 |
| 7 | 5s | 2.650150 | -.00057547 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727703 | < R2 > | .629266 | < 1/R > | 1.992084 | < 1/R**2 > | 16.294307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124270 |
| 2 | 1s | 15.433521 | .08736671 |
| 3 | 2s | 5.655690 | .01836696 |
| 4 | 3s | 7.094750 | -.01930112 |
| 5 | 4s | 9.046402 | .00951164 |
| 6 | 5s | 26.226596 | .00114761 |
| 7 | 4s | 61.632405 | -.00004610 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617062 | < 1/R**2 > | 227.846140 |
Total Energy= -157.71365341 a.u.
Kinetic Energy= 157.70655336 a.u.
Potential Energy= -315.42020677 a.u.
Virial Ratio = -2.00004502