(1s 2 2s 2 2p 5 3d 1 ) 3 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | .668183 | .98724412 |
| 2 | 3d | 1.505689 | .10466532 |
| 3 | 4d | 1.763717 | -.07080165 |
| 4 | 5d | 3.088019 | -.01165286 |
| 5 | 4d | 6.394018 | .00178322 |
| 6 | 3d | 8.649481 | .00035355 |
| ORB.ENERGY,a.u. | -.222780 | ||
| NORM | 1.000000 | < R > | 5.185865 | < R2 > | 30.869129 | < 1/R > | .227090 | < 1/R**2 > | .063283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.831085 | 1.40368958 |
| 2 | 3p | 3.437744 | -.50909207 |
| 3 | 2p | 7.715788 | .10319772 |
| 4 | 4p | 8.700581 | .02832065 |
| 5 | 5p | 2.301630 | .02894457 |
| 6 | 4p | 2.107273 | -.03482209 |
| 7 | 5p | 25.774107 | -.00022787 |
| 8 | 4p | 15.061926 | .00068339 |
| ORB.ENERGY,a.u. | -2.266800 | ||
| NORM | 1.000000 | < R > | .738721 | < R2 > | .689518 | < 1/R > | 1.796879 | < 1/R**2 > | 4.609968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122630 | .32133029 |
| 2 | 2s | 4.169925 | -.81204680 |
| 3 | 3s | 3.307830 | -.32096959 |
| 4 | 4s | 14.631383 | .01135605 |
| 5 | 3s | 18.453749 | .00227500 |
| 6 | 5s | 29.252819 | .00036117 |
| 7 | 5s | 2.395568 | -.00635088 |
| 8 | 4s | 2.722932 | .01089419 |
| 9 | 3s | 1.563981 | .00264058 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753042 | < R2 > | .678114 | < 1/R > | 1.927005 | < 1/R**2 > | 15.316230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337041 |
| 2 | 1s | 15.492794 | .08642431 |
| 3 | 2s | 5.346045 | .01503877 |
| 4 | 3s | 7.014869 | -.01793774 |
| 5 | 4s | 9.114185 | .01105059 |
| 6 | 5s | 25.925853 | .00104935 |
| 7 | 4s | 58.316936 | -.00005716 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611093 | < 1/R**2 > | 227.652901 |
Total Energy= -160.22436822 a.u.
Kinetic Energy= 160.22017804 a.u.
Potential Energy= -320.44454626 a.u.
Virial Ratio = -2.00002615