(1s 2 2s 2 2p 1 4p 1 ) 1 P N +
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 | 1.708220 | .16605880 |
| 2 | 3p | .706341 | -1.54374927 |
| 3 | 4p | .596214 | 2.52862934 |
| 4 | 5p | .673367 | -.56155081 |
| 5 | 2p | 3.467258 | .05973494 |
| 6 | 5p | 4.032033 | .00260335 |
| 7 | 3p | 6.332135 | -.00466621 |
| ORB.ENERGY,a.u. | -.163610 | ||
| NORM | 1.000004 | < R > | 8.783997 | < R2 > | 87.122384 | < 1/R > | .155425 | < 1/R**2 > | .068552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.067822 | .82828161 |
| 2 | 2p | 3.481470 | .18161663 |
| 3 | 2p | 7.792370 | .01003411 |
| 4 | 3p | 3.823375 | -.00136921 |
| 5 | 4p | 1.905991 | .01721351 |
| 6 | 4p | 12.238488 | -.00064760 |
| ORB.ENERGY,a.u. | -1.574300 | ||
| NORM | 1.000000 | < R > | 1.120397 | < R2 > | 1.544082 | < 1/R > | 1.151456 | < 1/R**2 > | 1.842852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.429770 | .26716642 |
| 2 | 2s | 1.997833 | -.76096276 |
| 3 | 3s | 3.455167 | -.27579070 |
| 4 | 4s | 13.384948 | .00209274 |
| 5 | 5s | 7.048779 | -.02425778 |
| 6 | 5s | 2.340060 | .02969658 |
| 7 | 4s | 31.657633 | .00002331 |
| 8 | 4s | 2.155356 | -.00751560 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180834 | < R2 > | 1.648830 | < 1/R > | 1.209461 | < 1/R**2 > | 5.911768 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.277141 | .00617790 |
| 2 | 1s | 6.254265 | .70932802 |
| 3 | 1s | 9.330763 | .22654184 |
| 4 | 2s | 7.136891 | .08428085 |
| 5 | 3s | 7.716023 | -.01451941 |
| 6 | 4s | 12.819986 | .00523983 |
| 7 | 5s | 22.229125 | .00017294 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227686 | < R2 > | .069783 | < 1/R > | 6.663588 | < 1/R**2 > | 90.049635 |
Total Energy= -52.97336393 a.u.
Kinetic Energy= 52.97939792 a.u.
Potential Energy= -105.95276185 a.u.
Virial Ratio = -1.99988611