(1s 2 2s 2 2p 3 4p 1 ) 3 P Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4.810602 | .13941617 |
| 2 | 3p | .921364 | 1.82816482 |
| 3 | 4p | 1.717907 | -1.41568746 |
| 4 | 5p | 3.147230 | -.17395051 |
| 5 | 3p | 7.820036 | -.01256984 |
| 6 | 5p | 1.141826 | .22845731 |
| 7 | 4p | 11.546187 | .00185226 |
| 8 | 4p | .800504 | -.20950589 |
| 9 | 4p | 39.859049 | .00001547 |
| 10 | 3p | .567375 | .03825317 |
| ORB.ENERGY,a.u. | -.605460 | ||
| NORM | 1.000001 | < R > | 4.752288 | < R2 > | 25.469772 | < 1/R > | .281543 | < 1/R**2 > | .202427 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.771525 | 1.49255156 |
| 2 | 3p | 4.927024 | -.62931648 |
| 3 | 4p | 6.161671 | .13172491 |
| 4 | 5p | 1.513497 | .03840743 |
| 5 | 4p | 16.433163 | -.00411184 |
| 6 | 4p | 1.398050 | -.10493014 |
| 7 | 5p | 33.909185 | -.00011301 |
| 8 | 3p | 1.090227 | .07794349 |
| 9 | 3p | 23.870666 | -.00047419 |
| ORB.ENERGY,a.u. | -4.754300 | ||
| NORM | 1.000000 | < R > | .643240 | < R2 > | .511891 | < 1/R > | 2.003991 | < 1/R**2 > | 5.560534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.001684 | .35056529 |
| 2 | 2s | 4.338811 | -.83682615 |
| 3 | 3s | 3.923737 | -.28125777 |
| 4 | 4s | 17.665784 | .00261475 |
| 5 | 3s | 10.797839 | .01757922 |
| 6 | 5s | 4.054645 | -.01510929 |
| 7 | 4s | .811266 | .00009295 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .703933 | < R2 > | .585799 | < 1/R > | 2.059466 | < 1/R**2 > | 17.340985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165172 | .90296490 |
| 2 | 1s | 15.521549 | .09697526 |
| 3 | 2s | 8.933541 | .01719218 |
| 4 | 3s | 12.700975 | -.01503411 |
| 5 | 4s | 20.243978 | .00391634 |
| 6 | 5s | 39.917281 | .00009141 |
| 7 | 5s | 7.558565 | .00087679 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142460 | < R2 > | .027285 | < 1/R > | 10.625018 | < 1/R**2 > | 228.105453 |
Total Energy= -154.47077973 a.u.
Kinetic Energy= 154.46066277 a.u.
Potential Energy= -308.93144250 a.u.
Virial Ratio = -2.00006550