(1s 2 2s 2 2p 1 5p 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 4.075609 | .01937996 |
| 2 | 5p | 2.218722 | .01921387 |
| 3 | 3p | 6.819075 | -.00216059 |
| 4 | 2p | 2.007549 | .12432455 |
| 5 | 3p | .742399 | -.95305779 |
| 6 | 4p | .495341 | 3.11110798 |
| 7 | 5p | .450974 | -2.93270499 |
| ORB.ENERGY,a.u. | -.098506 | ||
| NORM | .999994 | < R > | 14.815704 | < R2 > | 246.604336 | < 1/R > | .094734 | < 1/R**2 > | .032278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.067226 | .82624374 |
| 2 | 2p | 3.466301 | .18640358 |
| 3 | 2p | 7.847654 | .00956289 |
| 4 | 3p | 4.137339 | -.00426121 |
| 5 | 4p | 1.929972 | .01750682 |
| 6 | 4p | 12.143320 | -.00067359 |
| ORB.ENERGY,a.u. | -1.611100 | ||
| NORM | 1.000000 | < R > | 1.120527 | < R2 > | 1.544256 | < 1/R > | 1.151237 | < 1/R**2 > | 1.842098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427240 | .26755467 |
| 2 | 2s | 2.001135 | -.76134324 |
| 3 | 3s | 3.458315 | -.27610341 |
| 4 | 4s | 13.182788 | .00225209 |
| 5 | 5s | 7.046641 | -.02361256 |
| 6 | 5s | 2.278407 | .03071758 |
| 7 | 4s | 28.985170 | .00003287 |
| 8 | 4s | 1.930648 | -.00841000 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179761 | < R2 > | 1.645467 | < 1/R > | 1.210492 | < 1/R**2 > | 5.921212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.274140 | .00615421 |
| 2 | 1s | 6.254467 | .70936388 |
| 3 | 1s | 9.330795 | .22652420 |
| 4 | 2s | 7.137497 | .08427613 |
| 5 | 3s | 7.707874 | -.01452352 |
| 6 | 4s | 12.805694 | .00523252 |
| 7 | 5s | 22.169486 | .00018074 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227676 | < R2 > | .069775 | < 1/R > | 6.663780 | < 1/R**2 > | 90.053606 |
Total Energy= -52.91158387 a.u.
Kinetic Energy= 52.91429822 a.u.
Potential Energy= -105.82588209 a.u.
Virial Ratio = -1.99994870