(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 1 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 13.068608 | .04560521 |
| 2 | 2s | 5.011824 | -.20438895 |
| 3 | 3s | 2.681224 | .22185510 |
| 4 | 4s | 1.107536 | -3.55418429 |
| 5 | 5s | 1.218786 | 1.56422936 |
| 6 | 2s | .803637 | 1.12837798 |
| 7 | 4s | 24.373678 | .00097694 |
| 8 | 3s | 12.077681 | -.00442990 |
| 9 | 5s | 66.226765 | .00003095 |
| 10 | 3s | .474973 | -.00379138 |
| ORB.ENERGY,a.u. | -.584130 | ||
| NORM | 1.000000 | < R > | 3.978670 | < R2 > | 17.590016 | < 1/R > | .321362 | < 1/R**2 > | .686119 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.672794 | .31158044 |
| 2 | 2p | 1.639758 | -.37961049 |
| 3 | 3p | 2.152018 | -.71003358 |
| 4 | 2p | 8.723276 | .09898609 |
| 5 | 3p | 11.368926 | -.01252491 |
| 6 | 4p | .690899 | .01653364 |
| 7 | 4p | 14.757331 | .00359649 |
| 8 | 5p | .776844 | -.01392696 |
| 9 | 3p | 47.138762 | .00001003 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.679858 | < R2 > | 3.244158 | < 1/R > | .790530 | < 1/R**2 > | 1.376837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.396343 | 2.39595207 |
| 2 | 1s | 17.306249 | .02375559 |
| 3 | 2s | 5.708569 | -1.23246696 |
| 4 | 3s | 1.672984 | -.48800659 |
| 5 | 4s | 4.686762 | -.51240870 |
| 6 | 5s | 7.595325 | -.13961916 |
| 7 | 4s | 2.066648 | .14801164 |
| 8 | 3s | 55.558397 | -.00008164 |
| 9 | 5s | 1.147242 | -.00298506 |
| 10 | 4s | 93.787736 | .00002088 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.537366 | < R2 > | 2.692293 | < 1/R > | .879827 | < 1/R**2 > | 4.485706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.636539 | .00319169 |
| 2 | 2p | 8.918633 | .44599371 |
| 3 | 3p | 6.902000 | .50736010 |
| 4 | 5p | 3.898568 | .00504147 |
| 5 | 4p | 5.526780 | .14873556 |
| 6 | 5p | 29.513488 | -.00021039 |
| 7 | 4p | 33.964683 | -.00017236 |
| 8 | 3p | 9.009115 | .00026955 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440187 | < R2 > | .240972 | < 1/R > | 2.958642 | < 1/R**2 > | 12.232379 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.011006 | .36725845 |
| 2 | 2s | 6.305872 | -.76604382 |
| 3 | 3s | 5.334530 | -.16165406 |
| 4 | 4s | 23.620311 | .00246216 |
| 5 | 2s | 5.336519 | -.19442555 |
| 6 | 3s | 17.835092 | .00546728 |
| 7 | 4s | 3.847482 | -.00222640 |
| 8 | 5s | 45.004195 | .00012629 |
| 9 | 5s | 1.286908 | .00016315 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474373 | < R2 > | .266735 | < 1/R > | 3.081718 | < 1/R**2 > | 39.097002 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554879 | 1.01450121 |
| 2 | 2s | 20.546930 | -.02542036 |
| 3 | 3s | 12.091792 | .02045185 |
| 4 | 4s | 16.742211 | -.00018214 |
| 5 | 4s | 31.382602 | .00163452 |
| 6 | 2s | 66.944983 | .00001847 |
| 7 | 5s | 14.507817 | -.00547334 |
| 8 | 3s | 6.439141 | .00046101 |
| 9 | 4s | 4.302584 | -.00003446 |
| 10 | 5s | 1.288336 | .00002255 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012682 | < 1/R > | 15.568042 | < 1/R**2 > | 488.883010 |
Total Energy= -395.67104889 a.u.
Kinetic Energy= 395.66028417 a.u.
Potential Energy= -791.33133306 a.u.
Virial Ratio = -2.00002721