(1s 2 2s 2 2p 6 5s 1 ) 2 S S 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 13.223891 | .05136449 |
| 2 | 2s | 4.617830 | -.26149800 |
| 3 | 3s | 2.167603 | 1.28104198 |
| 4 | 4s | 1.625597 | -3.00948764 |
| 5 | 5s | 1.379327 | 2.53680029 |
| 6 | 5s | 8.896576 | .01304320 |
| 7 | 4s | 14.281846 | -.00379385 |
| 8 | 2s | .571335 | -.00292263 |
| ORB.ENERGY,a.u. | -.936230 | ||
| NORM | .999997 | < R > | 4.828452 | < R2 > | 26.097591 | < 1/R > | .293291 | < 1/R**2 > | .849441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.740092 | .46397564 |
| 2 | 3p | 6.943258 | .47287818 |
| 3 | 5p | 5.480842 | .02235308 |
| 4 | 4p | 5.986703 | .14557578 |
| 5 | 2p | 16.776282 | .00602294 |
| 6 | 5p | 33.430667 | -.00030355 |
| 7 | 3p | 6.363022 | -.00492563 |
| 8 | 3p | 54.418624 | .00006322 |
| 9 | 2p | 70.593619 | .00001525 |
| ORB.ENERGY,a.u. | -9.498700 | ||
| NORM | 1.000000 | < R > | .436037 | < R2 > | .235622 | < 1/R > | 2.978775 | < 1/R**2 > | 12.374019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.003508 | .36837071 |
| 2 | 2s | 6.438017 | -.85951262 |
| 3 | 3s | 5.595291 | -.27483500 |
| 4 | 4s | 23.314623 | .00124510 |
| 5 | 3s | 17.905024 | .00831992 |
| 6 | 5s | 41.069196 | .00007044 |
| 7 | 2s | 52.800882 | .00003651 |
| 8 | 4s | 3.032853 | -.00009047 |
| ORB.ENERGY,a.u. | -11.839000 | ||
| NORM | 1.000000 | < R > | .473006 | < R2 > | .264888 | < 1/R > | 3.088950 | < 1/R**2 > | 39.255178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.575154 | 1.01261652 |
| 2 | 2s | 20.329400 | -.02160066 |
| 3 | 3s | 13.983308 | .01636614 |
| 4 | 4s | 54.888408 | -.00070293 |
| 5 | 4s | 6.529320 | .00238644 |
| 6 | 5s | 67.610762 | .00021819 |
| 7 | 5s | 7.163191 | -.00166914 |
| 8 | 2s | 32.056612 | -.00095229 |
| 9 | 3s | 93.730228 | -.00003166 |
| ORB.ENERGY,a.u. | -94.523000 |
| NORM | 1.000000 | < R > | .097123 | < R2 > | .012678 | < 1/R > | 15.569485 | < 1/R**2 > | 488.958941 |
Total Energy= -388.49944237 a.u.
Kinetic Energy= 388.49944765 a.u.
Potential Energy= -776.99889002 a.u.
Virial Ratio = -1.99999999