(1s 2 2s 2 2p 1 4p 1 ) 3 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 2.132422 | .15329256 |
| 2 | 3p | .563543 | -2.09779103 |
| 3 | 4p | .583369 | 2.75419502 |
| 4 | 5p | 1.322477 | -.13479567 |
| 5 | 2p | 4.750088 | .01699368 |
| 6 | 5p | 6.613199 | .00447048 |
| 7 | 4p | 16.471310 | -.00011650 |
| 8 | 5p | .347389 | .00225114 |
| ORB.ENERGY,a.u. | -.158100 | ||
| NORM | 1.000000 | < R > | 9.054111 | < R2 > | 92.604805 | < 1/R > | .150183 | < 1/R**2 > | .062934 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.090027 | .84410785 |
| 2 | 2p | 3.584638 | .16427721 |
| 3 | 2p | 8.360432 | .00791555 |
| 4 | 3p | 1.190557 | -.00668049 |
| 5 | 4p | 1.788313 | .01778955 |
| 6 | 4p | 1.725719 | .00852838 |
| 7 | 3p | 22.428031 | .00010765 |
| 8 | 3p | 25.649157 | -.00005109 |
| ORB.ENERGY,a.u. | -1.568800 | ||
| NORM | 1.000000 | < R > | 1.118562 | < R2 > | 1.539206 | < 1/R > | 1.153255 | < 1/R**2 > | 1.848142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.421734 | .26768042 |
| 2 | 2s | 2.001598 | -.76659603 |
| 3 | 3s | 3.449882 | -.27774440 |
| 4 | 4s | 7.636046 | .00191370 |
| 5 | 5s | 7.113535 | -.02415519 |
| 6 | 5s | 2.343526 | .02392857 |
| 7 | 4s | 13.697807 | .00201267 |
| 8 | 4s | 4.122177 | .00403162 |
| 9 | 5s | 42.943813 | .00001759 |
| 10 | 2s | .247989 | .00015271 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180754 | < R2 > | 1.648570 | < 1/R > | 1.209527 | < 1/R**2 > | 5.912353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.277468 | .00618960 |
| 2 | 1s | 6.254265 | .70922274 |
| 3 | 1s | 9.329201 | .22665291 |
| 4 | 2s | 7.134771 | .08427121 |
| 5 | 3s | 7.710526 | -.01452219 |
| 6 | 4s | 12.820842 | .00523128 |
| 7 | 5s | 22.196207 | .00017361 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227687 | < R2 > | .069783 | < 1/R > | 6.663576 | < 1/R**2 > | 90.049373 |
Total Energy= -52.97365432 a.u.
Kinetic Energy= 52.97389247 a.u.
Potential Energy= -105.94754679 a.u.
Virial Ratio = -1.99999550