(1s 2 2s 2 2p 1 3p 1 ) 1 D P 9+
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 | 2p | 4.005689 | .55285163 |
| 2 | 3p | 3.492476 | -1.54852269 |
| 3 | 2p | 11.002742 | .01204601 |
| 4 | 4p | 7.065966 | .02944321 |
| 5 | 5p | 19.984686 | .00097490 |
| 6 | 4p | 3.567761 | .10766405 |
| ORB.ENERGY,a.u. | -6.258500 | ||
| NORM | 1.000000 | < R > | 1.137686 | < R2 > | 1.429715 | < 1/R > | .995761 | < 1/R**2 > | 1.285353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.036939 | 1.04996993 |
| 2 | 3p | 3.343668 | -.32382624 |
| 3 | 2p | 10.736710 | .08388383 |
| 4 | 5p | 13.310783 | .00793775 |
| 5 | 4p | 24.835159 | -.00233909 |
| 6 | 5p | 2.910385 | .01360975 |
| 7 | 3p | 30.051042 | -.00051920 |
| 8 | 4p | 2.009040 | -.00765529 |
| 9 | 3p | 1.410788 | .00263901 |
| ORB.ENERGY,a.u. | -16.625000 | ||
| NORM | 1.000000 | < R > | .379400 | < R2 > | .197023 | < 1/R > | 3.408147 | < 1/R**2 > | 15.522663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.953226 | .37123446 |
| 2 | 2s | 5.650753 | -.80779974 |
| 3 | 3s | 8.184866 | -.28137670 |
| 4 | 4s | 28.091545 | .00132903 |
| 5 | 5s | 15.923101 | -.01046191 |
| 6 | 5s | 6.533072 | .01415819 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458373 | < R2 > | .246040 | < 1/R > | 3.199259 | < 1/R**2 > | 41.429344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.160707 | .93125558 |
| 2 | 1s | 21.933644 | .06838540 |
| 3 | 2s | 13.109928 | .01914631 |
| 4 | 3s | 16.272232 | -.01645317 |
| 5 | 4s | 76.704437 | -.00005757 |
| 6 | 5s | 34.307261 | .00087310 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103012 | < R2 > | .014217 | < 1/R > | 14.644049 | < 1/R**2 > | 431.813321 |
Total Energy= -282.34834767 a.u.
Kinetic Energy= 282.20836831 a.u.
Potential Energy= -564.55671598 a.u.
Virial Ratio = -2.00049601