(1s 2 2s 1 3s 1 ) 1 S N 3+
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 | 5.400805 | .06299564 |
| 2 | 2s | 1.879992 | -.44820507 |
| 3 | 3s | 1.420925 | 1.49413188 |
| 4 | 4s | 3.200380 | -.15571510 |
| 5 | 5s | 6.751914 | -.00683606 |
| 6 | 4s | 13.018842 | .00079873 |
| 7 | 5s | 1.525911 | -.12423659 |
| 8 | 2s | 43.190925 | -.00000228 |
| ORB.ENERGY,a.u. | -1.103700 | ||
| NORM | 1.000000 | < R > | 2.794065 | < R2 > | 8.532004 | < 1/R > | .403334 | < 1/R**2 > | .335506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.512729 | .32449941 |
| 2 | 2s | 2.630899 | -.41302589 |
| 3 | 3s | 3.326572 | -.69342271 |
| 4 | 4s | 1.674347 | .25986176 |
| 5 | 5s | 7.069309 | -.02855698 |
| 6 | 4s | 24.734113 | -.00112332 |
| 7 | 3s | 12.816998 | .00241461 |
| 8 | 5s | 1.047022 | .01535379 |
| 9 | 5s | 33.405016 | .00039535 |
| 10 | 3s | .821120 | -.02278422 |
| ORB.ENERGY,a.u. | -3.178600 | ||
| NORM | 1.000000 | < R > | 1.009799 | < R2 > | 1.289835 | < 1/R > | 1.473892 | < 1/R**2 > | 8.746059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.278986 | .88917889 |
| 2 | 1s | 9.943661 | .11573176 |
| 3 | 2s | 5.050450 | .01802660 |
| 4 | 3s | 6.662330 | -.02289847 |
| 5 | 4s | 12.843884 | .00424902 |
| 6 | 5s | 9.774441 | .00188499 |
| 7 | 5s | 2.836157 | .00054516 |
| 8 | 3s | 21.525325 | -.00019571 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227040 | < R2 > | .069319 | < 1/R > | 6.676390 | < 1/R**2 > | 90.324093 |
Total Energy= -49.43662699 a.u.
Kinetic Energy= 49.43007470 a.u.
Potential Energy= -98.86670168 a.u.
Virial Ratio = -2.00013256