(1s 2 2s 2 2p 1 3p 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | .872962 | -1.06331636 |
| 2 | 2p | 1.799434 | .33658927 |
| 3 | 2p | 4.840114 | .03485181 |
| 4 | 4p | 5.554122 | .01462454 |
| 5 | 5p | 3.091667 | -.02960451 |
| 6 | 5p | .837741 | -.02308280 |
| ORB.ENERGY,a.u. | -.327960 | ||
| NORM | 1.000000 | < R > | 4.243558 | < R2 > | 20.501648 | < 1/R > | .303750 | < 1/R**2 > | .190981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.073693 | .82698427 |
| 2 | 2p | 3.488456 | .17965970 |
| 3 | 2p | 7.807461 | .01006611 |
| 4 | 3p | .940346 | -.00114061 |
| 5 | 4p | 1.915146 | .02039885 |
| 6 | 4p | 12.277629 | -.00059310 |
| ORB.ENERGY,a.u. | -1.454400 | ||
| NORM | 1.000000 | < R > | 1.119449 | < R2 > | 1.541452 | < 1/R > | 1.152432 | < 1/R**2 > | 1.845889 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.376667 | .26968923 |
| 2 | 2s | 2.067339 | -.75926381 |
| 3 | 3s | 3.325688 | -.28149176 |
| 4 | 4s | 12.625591 | .00328808 |
| 5 | 5s | 6.774317 | -.02169396 |
| 6 | 5s | 4.497254 | .01728382 |
| 7 | 4s | 26.888074 | .00007462 |
| 8 | 4s | 1.206068 | -.00144263 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.184729 | < R2 > | 1.661347 | < 1/R > | 1.205830 | < 1/R**2 > | 5.878749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.250348 | .70955849 |
| 2 | 1s | 9.330697 | .22681119 |
| 3 | 1s | 3.240863 | .00588405 |
| 4 | 2s | 7.130639 | .08435210 |
| 5 | 3s | 7.728841 | -.01454460 |
| 6 | 4s | 13.064055 | .00514128 |
| 7 | 5s | 55.519845 | -.00001157 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227721 | < R2 > | .069809 | < 1/R > | 6.662942 | < 1/R**2 > | 90.036253 |
Total Energy= -53.12485434 a.u.
Kinetic Energy= 53.14374172 a.u.
Potential Energy= -106.26859606 a.u.
Virial Ratio = -1.99964460