(1s 2 2s 2 2p 4 5d 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | .720420 | 1.88136538 |
| 2 | 4d | .617806 | -5.69218041 |
| 3 | 5d | .598757 | 4.53608862 |
| 4 | 3d | 2.314436 | .02022105 |
| 5 | 5d | 3.366309 | -.00594853 |
| 6 | 4d | 5.700888 | .00285318 |
| 7 | 5d | 9.652963 | .00020307 |
| 8 | 3d | 7.893920 | .00074311 |
| ORB.ENERGY,a.u. | -.181070 | ||
| NORM | 1.000016 | < R > | 11.398687 | < R2 > | 147.685523 | < 1/R > | .122925 | < 1/R**2 > | .031756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.200422 | 1.35652921 |
| 2 | 3p | 3.881578 | -.42333525 |
| 3 | 2p | 8.724746 | .06067692 |
| 4 | 4p | 9.888867 | .02031804 |
| 5 | 5p | 23.811434 | .00039490 |
| 6 | 4p | 38.760748 | .00009747 |
| 7 | 4p | 2.201463 | -.02294728 |
| 8 | 5p | 2.471331 | .02046328 |
| ORB.ENERGY,a.u. | -3.415500 | ||
| NORM | 1.000000 | < R > | .689136 | < R2 > | .591493 | < 1/R > | 1.896476 | < 1/R**2 > | 5.055633 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.065293 | .33543793 |
| 2 | 2s | 4.236312 | -.83029662 |
| 3 | 3s | 3.563334 | -.29514296 |
| 4 | 4s | 19.565627 | .00548024 |
| 5 | 3s | 20.576490 | .00144227 |
| 6 | 5s | 16.704701 | .00661017 |
| 7 | 5s | 13.588686 | .00336773 |
| 8 | 4s | 1.832086 | -.00023810 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727575 | < R2 > | .628993 | < 1/R > | 1.992355 | < 1/R**2 > | 16.298118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124231 |
| 2 | 1s | 15.433521 | .08736667 |
| 3 | 2s | 5.655622 | .01836774 |
| 4 | 3s | 7.094520 | -.01930170 |
| 5 | 4s | 9.046139 | .00951207 |
| 6 | 5s | 26.226424 | .00114764 |
| 7 | 4s | 61.635725 | -.00004610 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617057 | < 1/R**2 > | 227.845975 |
Total Energy= -157.60867069 a.u.
Kinetic Energy= 157.60480610 a.u.
Potential Energy= -315.21347679 a.u.
Virial Ratio = -2.00002452