(1s 2 2s 2 2p 2 4p 1 ) 4 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 3.206137 | .17932640 |
| 2 | 3p | .971704 | -1.05976428 |
| 3 | 4p | .862156 | 1.83073442 |
| 4 | 5p | 2.215494 | -.13294279 |
| 5 | 2p | 7.253599 | .00971261 |
| 6 | 5p | 1.600108 | -.19124523 |
| 7 | 5p | 10.317381 | .00217652 |
| ORB.ENERGY,a.u. | -.356610 | ||
| NORM | .999999 | < R > | 6.039911 | < R2 > | 41.215243 | < 1/R > | .228652 | < 1/R**2 > | .151868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.773216 | .79496637 |
| 2 | 2p | 4.566870 | .21771143 |
| 3 | 2p | 9.473102 | .01184416 |
| 4 | 3p | 1.703089 | .01439861 |
| 5 | 4p | 1.568232 | -.00503014 |
| 6 | 5p | 19.882427 | -.00064189 |
| 7 | 5p | .651662 | -.00022862 |
| 8 | 4p | 28.978980 | -.00009840 |
| ORB.ENERGY,a.u. | -2.954100 | ||
| NORM | 1.000000 | < R > | .818099 | < R2 > | .823871 | < 1/R > | 1.576976 | < 1/R**2 > | 3.450863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.466379 | .33109223 |
| 2 | 2s | 3.413977 | -.84677998 |
| 3 | 3s | 3.153213 | -.25411220 |
| 4 | 4s | 9.995598 | .01006249 |
| 5 | 3s | 10.648779 | .01630953 |
| 6 | 5s | 3.257757 | -.02211074 |
| 7 | 5s | 34.144867 | -.00009927 |
| 8 | 2s | 41.884404 | .00002826 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881558 | < R2 > | .918801 | < 1/R > | 1.635162 | < 1/R**2 > | 10.887914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.281355 | .68759620 |
| 2 | 1s | 12.187622 | .22269468 |
| 3 | 1s | 2.904294 | .00581722 |
| 4 | 2s | 9.062479 | .12759615 |
| 5 | 3s | 10.187369 | -.02742566 |
| 6 | 4s | 16.950687 | .00367697 |
| 7 | 5s | 4.969198 | -.00104646 |
| 8 | 5s | 58.336260 | -.00001994 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175240 | < R2 > | .041304 | < 1/R > | 8.644987 | < 1/R**2 > | 151.216975 |
Total Energy= -95.66902519 a.u.
Kinetic Energy= 95.67618684 a.u.
Potential Energy= -191.34521203 a.u.
Virial Ratio = -1.99992515