(1s 2 2s 1 4p 1 ) 1 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.956624 | .62242650 |
| 2 | 3p | 1.259996 | -1.66460160 |
| 3 | 4p | 1.011508 | 2.22538746 |
| 4 | 5p | 1.473588 | -.50246474 |
| 5 | 4p | 4.153574 | -.04951181 |
| 6 | 2p | 8.171387 | .00453884 |
| ORB.ENERGY,a.u. | -.530200 | ||
| NORM | 1.000001 | < R > | 5.409038 | < R2 > | 33.221601 | < 1/R > | .269831 | < 1/R**2 > | .214353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.927748 | .34403536 |
| 2 | 2s | 2.608350 | -.84737062 |
| 3 | 3s | 3.234839 | -.23341970 |
| 4 | 4s | 8.097567 | .01217823 |
| 5 | 3s | 8.007326 | .02083696 |
| 6 | 5s | 4.957912 | -.01865740 |
| 7 | 4s | .958801 | -.00064654 |
| 8 | 5s | 31.832323 | -.00008805 |
| 9 | 2s | 51.927462 | .00000623 |
| ORB.ENERGY,a.u. | -3.329300 | ||
| NORM | 1.000000 | < R > | 1.056269 | < R2 > | 1.301649 | < 1/R > | 1.363950 | < 1/R**2 > | 7.508606 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.268259 | .89252761 |
| 2 | 1s | 10.037744 | .11360079 |
| 3 | 2s | 5.206656 | .01981038 |
| 4 | 3s | 7.757064 | -.02086415 |
| 5 | 4s | 12.974327 | .00502736 |
| 6 | 5s | 7.451667 | -.00561102 |
| 7 | 5s | 51.867701 | -.00001575 |
| 8 | 4s | 3.316260 | .00055047 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227044 | < R2 > | .069320 | < 1/R > | 6.676403 | < 1/R**2 > | 90.326513 |
Total Energy= -48.86315458 a.u.
Kinetic Energy= 48.85698680 a.u.
Potential Energy= -97.72014138 a.u.
Virial Ratio = -2.00012624