(1s 2 2s 2 4p 1 ) 2 P N 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 1.819041 | .39821996 |
| 2 | 3p | .695409 | -4.69127886 |
| 3 | 4p | .796961 | 5.00547726 |
| 4 | 5p | 3.753040 | -.03100456 |
| 5 | 2p | 5.038817 | .02291601 |
| 6 | 5p | .704054 | .19694699 |
| 7 | 4p | 12.644679 | -.00067656 |
| 8 | 5p | 41.125892 | -.00001490 |
| ORB.ENERGY,a.u. | -.322630 | ||
| NORM | .999998 | < R > | 6.674573 | < R2 > | 50.451605 | < 1/R > | .214453 | < 1/R**2 > | .138222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.215751 | .29895703 |
| 2 | 2s | 2.349280 | -.74788869 |
| 3 | 3s | 3.471373 | -.28958848 |
| 4 | 4s | 9.421976 | .01288218 |
| 5 | 5s | 3.136265 | -.04449789 |
| 6 | 3s | 10.241382 | .00539287 |
| 7 | 4s | 2.871931 | .01036503 |
| 8 | 5s | 41.181738 | -.00003202 |
| 9 | 3s | .469623 | .00018232 |
| ORB.ENERGY,a.u. | -2.541500 | ||
| NORM | 1.000000 | < R > | 1.114982 | < R2 > | 1.459322 | < 1/R > | 1.283156 | < 1/R**2 > | 6.621417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.246592 | .70855037 |
| 2 | 1s | 9.281870 | .23168064 |
| 3 | 2s | 7.137968 | .08390430 |
| 4 | 3s | 7.852315 | -.01506338 |
| 5 | 4s | 13.183530 | .00898082 |
| 6 | 5s | 17.213335 | -.00166673 |
| 7 | 3s | 42.987077 | .00001539 |
| ORB.ENERGY,a.u. | -17.708000 |
| NORM | 1.000000 | < R > | .227051 | < R2 > | .069298 | < 1/R > | 6.674935 | < 1/R**2 > | 90.282096 |
Total Energy= -51.40492938 a.u.
Kinetic Energy= 51.40493408 a.u.
Potential Energy= -102.80986346 a.u.
Virial Ratio = -1.99999991