(1s 2 2s 1 3p 1 ) 1 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | 2.393914 | -1.63218952 |
| 2 | 2p | 2.809604 | 1.01965552 |
| 3 | 2p | 7.633461 | .04345147 |
| 4 | 4p | 9.624434 | .01205340 |
| 5 | 5p | 4.693833 | -.01520748 |
| 6 | 3p | 25.836643 | .00005778 |
| ORB.ENERGY,a.u. | -2.875200 | ||
| NORM | 1.000000 | < R > | 1.686377 | < R2 > | 3.278412 | < 1/R > | .830868 | < 1/R**2 > | 1.447990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.059187 | .40568683 |
| 2 | 2s | 4.175999 | -.87621292 |
| 3 | 3s | 4.677872 | -.25841742 |
| 4 | 4s | 11.423906 | .03107230 |
| 5 | 3s | 12.548910 | .01058485 |
| 6 | 5s | 7.465634 | -.01393220 |
| 7 | 5s | 14.101547 | -.00838344 |
| 8 | 5s | 2.503718 | .00053187 |
| ORB.ENERGY,a.u. | -8.044800 | ||
| NORM | 1.000000 | < R > | .691622 | < R2 > | .557544 | < 1/R > | 2.110106 | < 1/R**2 > | 17.988589 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.177683 | .87493316 |
| 2 | 1s | 13.496540 | .12500512 |
| 3 | 2s | 6.546267 | .02535843 |
| 4 | 3s | 8.342276 | -.02677995 |
| 5 | 4s | 18.441821 | .00329165 |
| 6 | 5s | 11.183616 | .00278209 |
| 7 | 5s | 62.012583 | -.00002894 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156290 | < R2 > | .032773 | < 1/R > | 9.670097 | < 1/R**2 > | 188.768261 |
Total Energy= -105.53343639 a.u.
Kinetic Energy= 105.50521408 a.u.
Potential Energy= -211.03865047 a.u.
Virial Ratio = -2.00026750