(1s 2 2s 2 2p 2 4s 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 9.218514 | .08634743 |
| 2 | 2s | 2.119890 | -1.14101901 |
| 3 | 3s | 2.003295 | 2.46742025 |
| 4 | 4s | 1.422166 | -1.72402711 |
| 5 | 5s | 2.953945 | -.25136051 |
| 6 | 4s | 8.805196 | -.02012107 |
| 7 | 5s | 15.962411 | .00015983 |
| 8 | 5s | 1.007801 | .00400014 |
| 9 | 4s | 43.136883 | -.00004274 |
| ORB.ENERGY,a.u. | -1.016300 | ||
| NORM | 1.000001 | < R > | 3.716124 | < R2 > | 15.510707 | < 1/R > | .381556 | < 1/R**2 > | 1.166474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.858504 | 1.23499323 |
| 2 | 3p | 4.702935 | -.25800283 |
| 3 | 2p | 10.754876 | .02004496 |
| 4 | 4p | 11.701183 | .00457391 |
| 5 | 5p | 23.102343 | -.00038425 |
| 6 | 5p | 2.204505 | -.00234105 |
| 7 | 4p | 2.296664 | .00380966 |
| ORB.ENERGY,a.u. | -5.975000 | ||
| NORM | 1.000000 | < R > | .613346 | < R2 > | .459988 | < 1/R > | 2.086345 | < 1/R**2 > | 5.979793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.860439 | .37204850 |
| 2 | 2s | 4.483862 | -.85496427 |
| 3 | 3s | 4.112970 | -.28831638 |
| 4 | 4s | 18.077491 | .00260114 |
| 5 | 3s | 10.326000 | .02442720 |
| 6 | 5s | 3.192150 | -.00674240 |
| 7 | 4s | 1.333629 | .00632252 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680544 | < R2 > | .545439 | < 1/R > | 2.133082 | < 1/R**2 > | 18.523668 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.118901 | .89219507 |
| 2 | 1s | 15.205124 | .10985333 |
| 3 | 2s | 8.161668 | .01829013 |
| 4 | 3s | 10.791451 | -.01642359 |
| 5 | 5s | 26.576613 | .00121215 |
| 6 | 4s | 63.720631 | -.00003966 |
| 7 | 5s | 3.601148 | .00032646 |
| 8 | 3s | .984007 | -.00035695 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027154 | < 1/R > | 10.637886 | < 1/R**2 > | 228.527635 |
Total Energy= -149.78006915 a.u.
Kinetic Energy= 149.78599534 a.u.
Potential Energy= -299.56606448 a.u.
Virial Ratio = -1.99996044