(1s 1 2p 1 ) 3 P C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 2.744913 | .84297950 |
| 2 | 3p | 2.598775 | .15862533 |
| 3 | 2p | 5.694760 | .02205137 |
| 4 | 4p | 8.189158 | -.00172789 |
| 5 | 5p | 26.986003 | .00003202 |
| 6 | 4p | 1.625763 | -.00026829 |
| ORB.ENERGY,a.u. | -3.226800 | ||
| NORM | 1.000000 | < R > | .963257 | < R2 > | 1.119287 | < 1/R > | 1.308043 | < 1/R**2 > | 2.309442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.824878 | .76540637 |
| 2 | 1s | 6.209778 | .24941808 |
| 3 | 2s | 6.006034 | -.02265905 |
| 4 | 3s | 5.277199 | .00885109 |
| 5 | 4s | 25.825308 | .00059973 |
| 6 | 5s | 32.442128 | -.00035291 |
| 7 | 5s | 3.804863 | .00034433 |
| 8 | 3s | 71.657538 | .00001293 |
| ORB.ENERGY,a.u. | -16.727000 |
| NORM | 1.000000 | < R > | .252179 | < R2 > | .085084 | < 1/R > | 5.965487 | < 1/R**2 > | 71.346186 |
Total Energy= -21.18103374 a.u.
Kinetic Energy= 21.21751697 a.u.
Potential Energy= -42.39855070 a.u.
Virial Ratio = -1.99828051