(1s 2 2s 2 2p 3 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 1.482498 | .66364213 |
| 2 | 2p | 2.758704 | .31367987 |
| 3 | 2p | 7.447819 | .01760805 |
| 4 | 3p | .643202 | -.01514597 |
| 5 | 5p | 20.208739 | -.00007383 |
| 6 | 4p | 1.284446 | .09211809 |
| 7 | 4p | 6.548968 | .01895852 |
| 8 | 3p | 8.185516 | .00682127 |
| 9 | 5p | .810978 | .00959087 |
| ORB.ENERGY,a.u. | -.339860 | ||
| NORM | 1.000000 | < R > | 1.473006 | < R2 > | 2.825181 | < 1/R > | .931548 | < 1/R**2 > | 1.282976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.841923 | .27643207 |
| 2 | 2s | 2.464642 | -.82780641 |
| 3 | 3s | 1.717291 | -.25483111 |
| 4 | 4s | 7.077531 | .02001759 |
| 5 | 3s | 7.986901 | .01933181 |
| 6 | 5s | 2.901526 | -.06534742 |
| 7 | 5s | 14.696243 | .00100033 |
| 8 | 3s | .768925 | -.00062103 |
| 9 | 2s | 43.805904 | .00000644 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.322319 | < R2 > | 2.116000 | < 1/R > | 1.086562 | < 1/R**2 > | 4.826656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.226574 | .71846084 |
| 2 | 1s | 9.303981 | .22536182 |
| 3 | 1s | 1.574403 | .00470331 |
| 4 | 2s | 6.886387 | .08440950 |
| 5 | 3s | 7.852373 | -.02146888 |
| 6 | 4s | 12.803321 | .00677631 |
| 7 | 5s | 29.254372 | .00013615 |
| 8 | 4s | 2.608506 | -.00136026 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228235 | < R2 > | .070217 | < 1/R > | 6.654298 | < 1/R**2 > | 89.863395 |
Total Energy= -54.39648218 a.u.
Kinetic Energy= 54.22810296 a.u.
Potential Energy= -108.62458514 a.u.
Virial Ratio = -2.00310502