(1s 2 2s 2 2p 5 3d 1 ) 3 F Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | .677266 | .97171995 |
| 2 | 3d | 1.463689 | .16837381 |
| 3 | 5d | 3.310887 | -.01366520 |
| 4 | 4d | 1.777275 | -.11295347 |
| 5 | 4d | 7.199761 | .00105405 |
| 6 | 4d | 7.095291 | .00024910 |
| 7 | 3d | 10.095413 | .00020836 |
| ORB.ENERGY,a.u. | -.226620 | ||
| NORM | 1.000000 | < R > | 5.068855 | < R2 > | 29.574495 | < 1/R > | .233359 | < 1/R**2 > | .067321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.827110 | 1.40639467 |
| 2 | 3p | 3.431443 | -.51226703 |
| 3 | 2p | 7.712628 | .10344670 |
| 4 | 4p | 8.705323 | .02835585 |
| 5 | 5p | 2.289719 | .02879608 |
| 6 | 4p | 2.097023 | -.03459053 |
| 7 | 5p | 25.835959 | -.00022810 |
| 8 | 4p | 15.200649 | .00065875 |
| ORB.ENERGY,a.u. | -2.270600 | ||
| NORM | 1.000000 | < R > | .738938 | < R2 > | .690021 | < 1/R > | 1.796555 | < 1/R**2 > | 4.608679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.127844 | .32105895 |
| 2 | 2s | 4.133721 | -.82638319 |
| 3 | 3s | 3.245075 | -.31020515 |
| 4 | 4s | 22.159170 | .00203092 |
| 5 | 3s | 13.279504 | .00580822 |
| 6 | 5s | 16.609606 | .00558924 |
| 7 | 5s | 2.315275 | -.04870370 |
| 8 | 4s | 2.073555 | .06044770 |
| 9 | 3s | .859133 | -.00028386 |
| 10 | 5s | 39.423544 | -.00007716 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753040 | < R2 > | .678123 | < 1/R > | 1.927036 | < 1/R**2 > | 15.316795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337148 |
| 2 | 1s | 15.492983 | .08642337 |
| 3 | 2s | 5.346073 | .01503705 |
| 4 | 3s | 7.015195 | -.01793699 |
| 5 | 4s | 9.114853 | .01104889 |
| 6 | 5s | 25.941682 | .00105005 |
| 7 | 4s | 58.279237 | -.00005663 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142771 | < R2 > | .027437 | < 1/R > | 10.611116 | < 1/R**2 > | 227.653648 |
Total Energy= -160.22441471 a.u.
Kinetic Energy= 160.22402159 a.u.
Potential Energy= -320.44843630 a.u.
Virial Ratio = -2.00000245