(1s 2 2s 2 2p 6 3s 1 ) 2 S Na 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | .377747 | .10111700 |
| 2 | 1s | 11.382803 | .03297956 |
| 3 | 2s | 2.955515 | -.15604691 |
| 4 | 3s | 1.058420 | .57120677 |
| 5 | 4s | .814009 | .40564133 |
| 6 | 4s | 7.430215 | -.02951599 |
| 7 | 5s | 13.178179 | -.00546117 |
| 8 | 2s | 16.130011 | .00261405 |
| 9 | 3s | 18.992245 | .00061081 |
| ORB.ENERGY,a.u. | -.182160 | ||
| NORM | 1.000000 | < R > | 4.208759 | < R2 > | 20.704878 | < 1/R > | .301398 | < 1/R**2 > | .398381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.847503 | .36997946 |
| 2 | 3p | 4.433514 | .48436374 |
| 3 | 4p | 3.117241 | .16815037 |
| 4 | 5p | 4.328740 | .06835496 |
| 5 | 2p | 12.870161 | .00525143 |
| 6 | 3p | 1.971091 | .07360585 |
| 7 | 5p | 26.220927 | -.00014636 |
| 8 | 4p | 1.655764 | -.00312752 |
| 9 | 2p | 4.108675 | -.00173338 |
| 10 | 5p | 1.299676 | .00098893 |
| ORB.ENERGY,a.u. | -1.355500 | ||
| NORM | 1.000000 | < R > | .798485 | < R2 > | .822134 | < 1/R > | 1.696598 | < 1/R**2 > | 4.187700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.123441 | .31141097 |
| 2 | 2s | 4.295265 | -.73710695 |
| 3 | 3s | 3.358128 | -.38272697 |
| 4 | 4s | 13.212014 | .00890662 |
| 5 | 3s | 14.501662 | .00743330 |
| 6 | 4s | 2.646349 | -.02359669 |
| 7 | 5s | 44.493094 | -.00006821 |
| 8 | 2s | 58.798859 | .00001256 |
| 9 | 5s | .782039 | -.00015047 |
| ORB.ENERGY,a.u. | -2.643900 | ||
| NORM | 1.000000 | < R > | .779068 | < R2 > | .731496 | < 1/R > | 1.867338 | < 1/R**2 > | 14.453156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.608215 | 1.01719067 |
| 2 | 2s | 14.002322 | -.03248387 |
| 3 | 3s | 8.620621 | .02559991 |
| 4 | 4s | 56.400988 | -.00002678 |
| 5 | 4s | 20.833338 | .00312035 |
| 6 | 5s | 10.612527 | -.00608508 |
| 7 | 4s | 4.646913 | .00070624 |
| 8 | 3s | 87.563071 | -.00000317 |
| 9 | 5s | 2.189066 | .00000963 |
| ORB.ENERGY,a.u. | -39.639000 |
| NORM | 1.000000 | < R > | .142858 | < R2 > | .027481 | < 1/R > | 10.607384 | < 1/R**2 > | 227.533848 |
Total Energy= -161.85891022 a.u.
Kinetic Energy= 161.85891617 a.u.
Potential Energy= -323.71782640 a.u.
Virial Ratio = -1.99999996