(1s 2 2s 2 2p 4 3s 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 13.033246 | .15048564 |
| 2 | 2s | 4.818385 | -.71744396 |
| 3 | 3s | 3.050988 | 1.44150116 |
| 4 | 4s | 2.849672 | -.15480836 |
| 5 | 5s | 14.846115 | -.00985906 |
| 6 | 5s | 2.484602 | .02547424 |
| 7 | 5s | 33.350033 | .00034857 |
| 8 | 4s | 17.756779 | -.00544287 |
| 9 | 4s | 1.998019 | -.01057772 |
| 10 | 2s | 89.020595 | .00000276 |
| ORB.ENERGY,a.u. | -4.869800 | ||
| NORM | 1.000000 | < R > | 1.259159 | < R2 > | 1.785057 | < 1/R > | 1.086148 | < 1/R**2 > | 6.827312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.557426 | 1.15675127 |
| 2 | 3p | 6.326842 | -.23245211 |
| 3 | 2p | 12.160458 | .07235068 |
| 4 | 5p | 3.578099 | .00006491 |
| 5 | 5p | 39.001483 | -.00014437 |
| 6 | 4p | 14.539472 | .01147997 |
| ORB.ENERGY,a.u. | -12.820000 | ||
| NORM | 1.000000 | < R > | .406064 | < R2 > | .202037 | < 1/R > | 3.157415 | < 1/R**2 > | 13.708931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.043140 | .34512853 |
| 2 | 2s | 5.739238 | -.78681883 |
| 3 | 3s | 8.892926 | -.24495637 |
| 4 | 4s | 7.137273 | -.04873375 |
| 5 | 5s | 18.976711 | -.00880186 |
| 6 | 4s | 4.113662 | .00895673 |
| 7 | 2s | 18.489822 | .00040494 |
| 8 | 3s | 2.535270 | .00485818 |
| 9 | 3s | 50.065571 | -.00006422 |
| 10 | 5s | 2.265897 | -.00032562 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .449838 | < R2 > | .237601 | < 1/R > | 3.248811 | < 1/R**2 > | 43.080222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.201610 | .90938267 |
| 2 | 1s | 21.367686 | .08524147 |
| 3 | 2s | 6.941887 | .03092958 |
| 4 | 3s | 5.268317 | -.04843688 |
| 5 | 4s | 6.015744 | .03464767 |
| 6 | 5s | 39.813350 | .00096039 |
| 7 | 4s | 2.144726 | -.00010402 |
| 8 | 4s | 12.703395 | -.00600530 |
| 9 | 3s | 75.605343 | -.00003938 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096906 | < R2 > | .012608 | < 1/R > | 15.591176 | < 1/R**2 > | 490.004598 |
Total Energy= -370.16955142 a.u.
Kinetic Energy= 370.11897438 a.u.
Potential Energy= -740.28852580 a.u.
Virial Ratio = -2.00013665