(1s 2 2s 2 2p 3 3d 1 ) 5 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 1.454513 | 1.14222988 |
| 2 | 3d | 3.968197 | .04967677 |
| 3 | 4d | 1.854392 | -.17947863 |
| 4 | 5d | 5.934920 | -.00254720 |
| 5 | 5d | 1.364154 | .02003937 |
| 6 | 4d | 24.963316 | .00003590 |
| ORB.ENERGY,a.u. | -.940930 | ||
| NORM | 1.000000 | < R > | 2.377203 | < R2 > | 6.571253 | < 1/R > | .504348 | < 1/R**2 > | .318830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.802541 | 1.45502039 |
| 2 | 3p | 5.009340 | -.57755836 |
| 3 | 4p | 6.275738 | .11295006 |
| 4 | 4p | 16.109659 | -.00412385 |
| 5 | 5p | 3.166409 | .02550578 |
| 6 | 4p | 26.784230 | -.00056451 |
| 7 | 5p | 2.753842 | -.00964569 |
| 8 | 3p | 1.614204 | .00228443 |
| 9 | 3p | 33.951883 | -.00012335 |
| ORB.ENERGY,a.u. | -4.539900 | ||
| NORM | 1.000000 | < R > | .647775 | < R2 > | .517634 | < 1/R > | 1.994206 | < 1/R**2 > | 5.518287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.959116 | .35287462 |
| 2 | 2s | 4.358351 | -.84449998 |
| 3 | 3s | 3.805594 | -.29028222 |
| 4 | 4s | 17.864004 | .00252436 |
| 5 | 3s | 10.576192 | .01984315 |
| 6 | 5s | 3.190993 | -.00266707 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .704697 | < R2 > | .587481 | < 1/R > | 2.058085 | < 1/R**2 > | 17.322574 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165916 | .90296031 |
| 2 | 1s | 15.521608 | .09696730 |
| 3 | 2s | 8.966713 | .01716277 |
| 4 | 3s | 12.699353 | -.01503389 |
| 5 | 4s | 20.252346 | .00391520 |
| 6 | 5s | 39.812413 | .00009135 |
| 7 | 5s | 7.511920 | .00089065 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142442 | < R2 > | .027277 | < 1/R > | 10.625900 | < 1/R**2 > | 228.135038 |
Total Energy= -154.78234496 a.u.
Kinetic Energy= 154.79633622 a.u.
Potential Energy= -309.57868119 a.u.
Virial Ratio = -1.99990962