(1s 2 2s 2 2p 1 ) 2 P N 2+
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 | 2.087399 | .84275103 |
| 2 | 2p | 3.695161 | .21309650 |
| 3 | 3p | 6.489341 | -.02634808 |
| 4 | 4p | 1.789367 | .02874436 |
| 5 | 4p | 5.225730 | -.02014177 |
| 6 | 5p | 1.773868 | -.00797827 |
| 7 | 5p | 16.381727 | -.00021807 |
| ORB.ENERGY,a.u. | -1.733400 | ||
| NORM | 1.000000 | < R > | 1.120599 | < R2 > | 1.544239 | < 1/R > | 1.151061 | < 1/R**2 > | 1.841465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.873468 | .30651421 |
| 2 | 2s | 2.556897 | -.81668349 |
| 3 | 3s | 2.577848 | -.23667699 |
| 4 | 4s | 10.987099 | .00349491 |
| 5 | 3s | 6.706575 | .03112878 |
| 6 | 5s | 2.629630 | -.06473420 |
| 7 | 3s | 1.486549 | -.00402976 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.178837 | < R2 > | 1.642601 | < 1/R > | 1.211392 | < 1/R**2 > | 5.929496 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.879366 | .00369095 |
| 2 | 1s | 6.242477 | .71077778 |
| 3 | 1s | 9.330304 | .22754375 |
| 4 | 2s | 7.146292 | .08421414 |
| 5 | 3s | 7.930610 | -.01514720 |
| 6 | 4s | 12.901199 | .00608852 |
| 7 | 5s | 27.739906 | .00009725 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227666 | < R2 > | .069768 | < 1/R > | 6.663951 | < 1/R**2 > | 90.057134 |
Total Energy= -52.81579263 a.u.
Kinetic Energy= 52.81579252 a.u.
Potential Energy= -105.63158514 a.u.
Virial Ratio = -2.00000000