(1s 2 2s 2 4p 1 ) 2 P O 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 3.206570 | .25088278 |
| 2 | 3p | .754418 | -2.20483375 |
| 3 | 4p | .976150 | 3.26561964 |
| 4 | 5p | 1.799240 | -.63668675 |
| 5 | 2p | 9.989495 | .00200451 |
| 6 | 5p | .806068 | .29390360 |
| 7 | 5p | 2.518829 | -.24760822 |
| ORB.ENERGY,a.u. | -.560350 | ||
| NORM | 1.000001 | < R > | 5.125720 | < R2 > | 29.762442 | < 1/R > | .279951 | < 1/R**2 > | .230904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.017232 | .32065353 |
| 2 | 2s | 2.823076 | -.75840864 |
| 3 | 3s | 4.024404 | -.29394370 |
| 4 | 4s | 11.019590 | .01075158 |
| 5 | 5s | 3.569534 | -.03433033 |
| 6 | 3s | 11.078760 | .00496588 |
| 7 | 4s | 2.796563 | .00804540 |
| 8 | 5s | 24.880683 | .00016040 |
| 9 | 3s | .746247 | .00022656 |
| ORB.ENERGY,a.u. | -3.811500 | ||
| NORM | 1.000000 | < R > | .938448 | < R2 > | 1.032140 | < 1/R > | 1.534139 | < 1/R**2 > | 9.482468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355337 | .73113173 |
| 2 | 1s | 10.644186 | .20352617 |
| 3 | 2s | 7.675534 | .09845858 |
| 4 | 3s | 8.485943 | -.02361749 |
| 5 | 4s | 14.625676 | .00691208 |
| 6 | 5s | 17.667496 | -.00099409 |
| ORB.ENERGY,a.u. | -24.126000 |
| NORM | 1.000000 | < R > | .197244 | < R2 > | .052244 | < 1/R > | 7.673548 | < 1/R**2 > | 119.118050 |
Total Energy= -68.81800346 a.u.
Kinetic Energy= 68.81800317 a.u.
Potential Energy= -137.63600663 a.u.
Virial Ratio = -2.00000000