(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 3p | .450115 | -.00031707 |
| 2 | 2p | 10.638109 | .02807869 |
| 3 | 2p | 5.303265 | .14049803 |
| 4 | 3p | 2.252244 | -.92957873 |
| 5 | 4p | 1.496842 | 3.01010999 |
| 6 | 5p | 18.118182 | .00154927 |
| 7 | 5p | 1.353536 | -2.85028897 |
| 8 | 3p | 36.778162 | -.00002931 |
| ORB.ENERGY,a.u. | -.889380 | ||
| NORM | .999999 | < R > | 4.928505 | < R2 > | 27.268267 | < 1/R > | .287439 | < 1/R**2 > | .312553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.581164 | -.07561713 |
| 2 | 1s | 3.763369 | .06495302 |
| 3 | 1s | 13.540827 | .13975066 |
| 4 | 2s | 6.088600 | -.53159768 |
| 5 | 3s | 2.819487 | .84442880 |
| 6 | 4s | 3.893678 | .33713425 |
| 7 | 5s | 7.115641 | -.03685932 |
| 8 | 4s | 25.276282 | .00185537 |
| 9 | 3s | 28.479812 | .00042852 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.286310 | < R2 > | 1.873902 | < 1/R > | 1.071665 | < 1/R**2 > | 6.838673 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.644226 | .44485877 |
| 2 | 3p | 7.652649 | .48750272 |
| 3 | 5p | 5.410711 | .00995829 |
| 4 | 4p | 6.388191 | .16001491 |
| 5 | 2p | 21.330792 | .00285197 |
| 6 | 5p | 39.939740 | -.00014668 |
| 7 | 3p | 83.849406 | .00000280 |
| 8 | 3p | .920513 | .00002098 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .401951 | < R2 > | .199856 | < 1/R > | 3.223194 | < 1/R**2 > | 14.442894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.664029 | .38077784 |
| 2 | 2s | 7.061089 | -.83763011 |
| 3 | 3s | 6.200830 | -.30161263 |
| 4 | 4s | 28.559846 | .00197810 |
| 5 | 3s | 16.209203 | .00906943 |
| 6 | 2s | 2.692634 | -.00994006 |
| 7 | 4s | 2.952330 | .00313175 |
| 8 | 5s | 74.708687 | .00001451 |
| 9 | 5s | 2.746795 | -.00064741 |
| 10 | 3s | 5.843488 | -.00001637 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439095 | < R2 > | .228081 | < 1/R > | 3.332743 | < 1/R**2 > | 45.661185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580059 | 1.01106818 |
| 2 | 2s | 20.565910 | -.01842615 |
| 3 | 3s | 15.143712 | .01697372 |
| 4 | 4s | 60.207698 | -.00039563 |
| 5 | 4s | 8.494562 | .00134184 |
| 6 | 5s | 76.957525 | .00010877 |
| 7 | 5s | 8.776874 | -.00052180 |
| 8 | 2s | 28.679876 | -.00344770 |
| 9 | 2s | 144.004506 | .00000357 |
| 10 | 3s | 1.890591 | -.00000558 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091262 | < R2 > | .011190 | < 1/R > | 16.563671 | < 1/R**2 > | 553.188207 |
Total Energy= -449.81676679 a.u.
Kinetic Energy= 449.81920627 a.u.
Potential Energy= -899.63597305 a.u.
Virial Ratio = -1.99999458