(1s 2 2s 2 2p 6 ) 1 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 2.739910 | 1.42712256 |
| 2 | 3p | 3.415724 | -.53570984 |
| 3 | 2p | 7.690249 | .09731358 |
| 4 | 4p | 8.767411 | .02440961 |
| 5 | 5p | 2.461521 | .02675316 |
| 6 | 5p | 29.767150 | -.00011566 |
| ORB.ENERGY,a.u. | -1.678600 | ||
| NORM | 1.000000 | < R > | .796249 | < R2 > | .815893 | < 1/R > | 1.699194 | < 1/R**2 > | 4.197423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.332842 | .24517440 |
| 2 | 1s | 16.807678 | .02306826 |
| 3 | 2s | 4.448725 | -.47291897 |
| 4 | 2s | 10.482142 | .06716984 |
| 5 | 2s | 2.810596 | -.63787015 |
| 6 | 3s | 16.207544 | -.00366897 |
| 7 | 4s | 2.570461 | -.00726862 |
| 8 | 5s | 58.934540 | -.00003678 |
| 9 | 5s | 3.442051 | .01358405 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .779118 | < R2 > | .731432 | < 1/R > | 1.866965 | < 1/R**2 > | 14.446809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.227059 | .91373328 |
| 2 | 1s | 15.513114 | .08610108 |
| 3 | 2s | 5.103466 | .01585149 |
| 4 | 3s | 6.757812 | -.01874755 |
| 5 | 4s | 8.940160 | .01150279 |
| 6 | 5s | 25.851572 | .00091282 |
| 7 | 4s | 55.212854 | -.00007009 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142860 | < R2 > | .027482 | < 1/R > | 10.607309 | < 1/R**2 > | 227.531783 |
Total Energy= -161.67696193 a.u.
Kinetic Energy= 161.67695876 a.u.
Potential Energy= -323.35392069 a.u.
Virial Ratio = -2.00000002