(1s 2 2s 2 2p 1 4p 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 1.747910 | .05237806 |
| 2 | 3p | .457579 | -.88155504 |
| 3 | 4p | .312840 | 1.50634721 |
| 4 | 5p | .389954 | -.14553934 |
| 5 | 2p | 5.318974 | .00147421 |
| 6 | 5p | 1.906607 | .02599622 |
| ORB.ENERGY,a.u. | -.044831 | ||
| NORM | 1.000004 | < R > | 15.902010 | < R2 > | 285.800952 | < 1/R > | .080140 | < 1/R**2 > | .011246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.511105 | .79144157 |
| 2 | 2p | 2.750347 | .31782432 |
| 3 | 3p | 3.721755 | -.06175463 |
| 4 | 4p | .287873 | .05427548 |
| 5 | 5p | .786337 | -.02695564 |
| 6 | 5p | 13.033608 | -.00025319 |
| 7 | 3p | 5.910233 | -.01229191 |
| 8 | 3p | .175093 | -.00568663 |
| ORB.ENERGY,a.u. | -.779660 | ||
| NORM | 1.000000 | < R > | 1.482806 | < R2 > | 3.140608 | < 1/R > | .889405 | < 1/R**2 > | 1.112120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579346 | .24019499 |
| 2 | 2s | 1.548003 | -.76520216 |
| 3 | 3s | 2.872735 | -.27116135 |
| 4 | 4s | 11.513870 | .00209708 |
| 5 | 5s | 5.913155 | -.02796880 |
| 6 | 5s | 1.881099 | .03036661 |
| 7 | 2s | 30.770529 | -.00000600 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476696 | < R2 > | 2.593971 | < 1/R > | .960445 | < 1/R**2 > | 3.710895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212785 | .71609987 |
| 2 | 1s | 8.200769 | .22613097 |
| 3 | 1s | 2.397619 | .00360919 |
| 4 | 2s | 6.451056 | .08047629 |
| 5 | 3s | 6.776793 | -.01402978 |
| 6 | 4s | 10.923888 | .00564328 |
| 7 | 5s | 42.272626 | -.00002692 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268112 | < R2 > | .096888 | < 1/R > | 5.668372 | < 1/R**2 > | 65.300518 |
Total Energy= -37.33665076 a.u.
Kinetic Energy= 37.33705843 a.u.
Potential Energy= -74.67370919 a.u.
Virial Ratio = -1.99998908