(1s 2 2s 2 2p 1 3p 1 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | .510392 | -1.22872963 |
| 2 | 2p | .549644 | .39169722 |
| 3 | 5p | .468580 | -.43414926 |
| 4 | 4p | .388905 | .30846838 |
| 5 | 2p | 25.314568 | .00002080 |
| 6 | 4p | 9.148812 | .00079457 |
| 7 | 5p | 3.362707 | -.01013906 |
| 8 | 3p | 15.359364 | .00022468 |
| ORB.ENERGY,a.u. | -.046224 | ||
| NORM | 1.000001 | < R > | 8.141897 | < R2 > | 74.115213 | < 1/R > | .138731 | < 1/R**2 > | .022415 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.358901 | .37927996 |
| 2 | 2p | 2.210538 | .53787327 |
| 3 | 2p | 6.036062 | .01681413 |
| 4 | 3p | .459892 | -.06146350 |
| 5 | 4p | 2.060521 | .13324604 |
| 6 | 5p | 7.144755 | .00339292 |
| 7 | 5p | .245785 | .00106608 |
| ORB.ENERGY,a.u. | -.645470 | ||
| NORM | 1.000000 | < R > | 1.463115 | < R2 > | 2.756260 | < 1/R > | .892516 | < 1/R**2 > | 1.118041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579627 | .24013735 |
| 2 | 2s | 1.551235 | -.76171425 |
| 3 | 3s | 2.867535 | -.27188282 |
| 4 | 4s | 11.450737 | .00092491 |
| 5 | 5s | 5.907329 | -.02832861 |
| 6 | 5s | 1.842854 | .02874471 |
| 7 | 4s | 11.729437 | .00113620 |
| 8 | 4s | 1.068442 | -.00165242 |
| 9 | 2s | 36.057162 | -.00000397 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476937 | < R2 > | 2.595017 | < 1/R > | .960300 | < 1/R**2 > | 3.709773 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212749 | .71610618 |
| 2 | 1s | 8.200771 | .22613336 |
| 3 | 1s | 2.393584 | .00360094 |
| 4 | 2s | 6.451404 | .08046858 |
| 5 | 3s | 6.779915 | -.01402708 |
| 6 | 4s | 10.924142 | .00565279 |
| 7 | 5s | 42.377005 | -.00002666 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268113 | < R2 > | .096889 | < 1/R > | 5.668359 | < 1/R**2 > | 65.300336 |
Total Energy= -37.38189717 a.u.
Kinetic Energy= 37.35817895 a.u.
Potential Energy= -74.74007612 a.u.
Virial Ratio = -2.00063489