(1s 2 2s 1 3s 1 ) 1 S P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 7.619474 | .15865380 |
| 2 | 2s | 4.853293 | -.82319487 |
| 3 | 3s | 4.048782 | 1.68189136 |
| 4 | 4s | 7.461619 | -.16487058 |
| 5 | 5s | 12.619625 | -.00247909 |
| 6 | 4s | 27.831031 | .00081003 |
| 7 | 5s | 3.626485 | -.04332316 |
| 8 | 4s | 2.953869 | .02491946 |
| 9 | 2s | 1.522517 | -.00157640 |
| 10 | 3s | 52.223844 | .00002737 |
| ORB.ENERGY,a.u. | -8.720900 | ||
| NORM | 1.000000 | < R > | 1.062564 | < R2 > | 1.228164 | < 1/R > | 1.062629 | < 1/R**2 > | 2.477717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.261948 | .41908635 |
| 2 | 2s | 6.940519 | -.52094977 |
| 3 | 3s | 7.785917 | -.69702990 |
| 4 | 4s | 4.518573 | .32582215 |
| 5 | 5s | 15.185888 | -.02139172 |
| 6 | 4s | 39.342516 | -.00134636 |
| 7 | 3s | 27.227893 | .00570862 |
| 8 | 2s | 60.452089 | .00018396 |
| 9 | 5s | 2.550566 | .00650605 |
| 10 | 3s | 1.976774 | -.00932184 |
| ORB.ENERGY,a.u. | -21.426000 | ||
| NORM | 1.000000 | < R > | .414305 | < R2 > | .218375 | < 1/R > | 3.715412 | < 1/R**2 > | 55.272657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.420375 | .93863280 |
| 2 | 1s | 22.898788 | .04882246 |
| 3 | 2s | 17.493673 | .01661000 |
| 4 | 3s | 10.786016 | .00200305 |
| 5 | 4s | 61.436393 | -.00043849 |
| 6 | 5s | 82.462050 | .00015880 |
| 7 | 5s | 6.239037 | .00026402 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102735 | < R2 > | .014129 | < 1/R > | 14.671648 | < 1/R**2 > | 433.122862 |
Total Energy= -246.85907727 a.u.
Kinetic Energy= 246.83947546 a.u.
Potential Energy= -493.69855273 a.u.
Virial Ratio = -2.00007941