(1s 2 2s 2 2p 1 4p 1 ) 3 S Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 3.073359 | .34627933 |
| 2 | 3p | 1.321654 | -2.62049238 |
| 3 | 4p | 1.334570 | 2.61150277 |
| 4 | 5p | 6.114468 | -.02024654 |
| 5 | 2p | 6.904597 | .02785874 |
| 6 | 5p | 1.615634 | .41943939 |
| 7 | 3p | 11.309443 | -.00145357 |
| ORB.ENERGY,a.u. | -.891050 | ||
| NORM | .999998 | < R > | 4.031963 | < R2 > | 18.369496 | < 1/R > | .347181 | < 1/R**2 > | .340421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.611114 | .74954564 |
| 2 | 2p | 4.843975 | .24562088 |
| 3 | 2p | 11.411571 | .00840121 |
| 4 | 3p | 5.695175 | -.02450100 |
| 5 | 4p | 4.046947 | .04045507 |
| 6 | 4p | 18.035061 | -.00061973 |
| 7 | 5p | 2.374345 | -.00272560 |
| 8 | 3p | 2.205397 | .00734083 |
| ORB.ENERGY,a.u. | -4.436700 | ||
| NORM | 1.000000 | < R > | .661216 | < R2 > | .532430 | < 1/R > | 1.926211 | < 1/R**2 > | 5.070650 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.894427 | .32310233 |
| 2 | 2s | 3.357418 | -.79308987 |
| 3 | 3s | 5.252557 | -.27154456 |
| 4 | 4s | 18.080019 | .00240081 |
| 5 | 5s | 10.310147 | -.01482037 |
| 6 | 5s | 3.802685 | .02142691 |
| 7 | 4s | 37.230178 | .00004514 |
| 8 | 4s | 1.369469 | .00030433 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739785 | < R2 > | .642565 | < 1/R > | 1.958771 | < 1/R**2 > | 15.550468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269737 | .89201268 |
| 2 | 1s | 13.730516 | .10419231 |
| 3 | 1s | 2.324785 | .00006022 |
| 4 | 2s | 7.524715 | .01502457 |
| 5 | 3s | 9.852967 | -.00790812 |
| 6 | 4s | 18.032463 | .00342558 |
| 7 | 5s | 9.622640 | -.00041395 |
| 8 | 5s | 29.620510 | .00031154 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156653 | < R2 > | .032948 | < 1/R > | 9.654244 | < 1/R**2 > | 188.266490 |
Total Energy= -116.80036746 a.u.
Kinetic Energy= 116.80169766 a.u.
Potential Energy= -233.60206512 a.u.
Virial Ratio = -1.99998861